data_2daz_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 2daz _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 ' 10' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.917 0.389 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 p -74.36 139.12 43.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.96 -57.51 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -46.59 -41.16 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -75.85 -34.19 60.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.58 -49.48 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -64.31 -39.52 94.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -74.69 -29.53 61.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -70.13 -39.26 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -107.06 12.35 28.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.7 -19.88 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.48 -29.73 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 28.4 mt -55.56 151.26 21.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.22 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.368 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.79 -166.95 0.32 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -121.59 122.06 38.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.52 129.28 40.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -128.27 100.18 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.7 mt -95.56 110.38 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.43 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 38.3 pt -129.36 138.48 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -94.85 119.47 33.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.426 HD12 ' CD1' ' A' ' 105' ' ' LEU . 57.2 mt -117.79 120.21 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -75.51 113.54 13.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -41.37 128.86 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 36' ' ' ASN . 20.4 t70 -87.9 175.84 7.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 34' ' ' ASP . 48.3 mtmt -34.24 -34.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' ASP . 3.7 t30 -106.52 -27.96 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 112.76 -167.32 12.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.0 mt -69.27 86.14 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.01 98.37 1.71 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.448 HD22 ' CB ' ' A' ' 64' ' ' ALA . 9.3 mt -136.96 136.77 38.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -83.07 114.75 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.3 mt -103.5 151.18 23.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.5 136.83 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.0 168.96 28.06 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' LYS . 23.4 t-20 -71.99 145.99 47.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' ASN . 46.4 mttm -35.05 -51.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -92.9 117.35 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -46.04 -52.16 12.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.9 m -42.28 -35.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -89.43 113.18 24.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.4 mmm -92.83 127.63 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -175.02 129.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.5 mt -92.56 114.02 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 117' ' ' MET . 62.9 m-85 -108.47 163.28 13.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.9 t -105.75 96.89 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.0 m -95.18 19.57 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.4 150.02 7.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 59' ' ' ASN . 93.8 mt -133.63 95.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 58' ' ' ILE . 41.3 t30 -37.71 120.64 0.95 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.649 0.738 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -5.75 16.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -104.62 -14.9 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.2 -178.32 52.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.437 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.4 Cg_endo -69.79 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.328 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.448 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -43.84 -34.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.25 -44.09 39.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.88 76.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -58.59 -44.69 89.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.97 33.28 41.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -110.53 -51.38 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.455 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 13.4 mtp -65.92 144.98 56.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -136.35 175.83 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.2 mm -78.12 124.55 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 117' ' ' MET . . . 122.51 -17.87 8.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.556 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 72.9 m-20 -59.63 141.27 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 39.3 tt0 -113.36 95.32 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.0 mt -48.59 139.44 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.2 mt -123.45 -40.74 2.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -147.58 151.75 36.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.0 mt -149.95 117.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 60.41 44.36 12.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 63.58 44.05 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -145.48 111.76 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.7 mt -68.81 130.6 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.482 ' CD2' ' CD1' ' A' ' 95' ' ' ILE . 9.3 mt -102.01 -23.61 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -42.86 109.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.96 -39.03 2.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -74.82 165.91 24.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.8 m -83.81 141.14 31.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.546 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 21.2 p80 -39.92 -42.02 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.546 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 38.3 mt-30 -49.16 -44.68 42.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -57.93 -53.49 57.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -39.29 -60.45 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.066 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.0 p -48.42 -45.78 36.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.58 74.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.482 ' CD1' ' CD2' ' A' ' 84' ' ' LEU . 40.2 mt -56.44 -44.16 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.48 -43.93 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -53.14 -44.82 68.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.1 p -75.84 -24.8 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.43 150.34 97.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.8 Cg_endo -69.72 170.5 16.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' PRO . 1.1 t -36.98 -59.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -80.16 126.25 30.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.78 129.32 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -87.16 113.93 23.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.426 ' CD1' HD12 ' A' ' 31' ' ' LEU . 6.0 mt -100.5 123.2 44.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 88.5 t -115.26 101.0 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 17.8 p90 -126.54 -178.18 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 75' ' ' GLU . 7.2 tt -124.91 145.38 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 -106.41 112.07 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -133.98 122.87 23.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -10.45 21.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.82 -19.11 19.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -50.37 -51.64 44.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.462 HG21 ' N ' ' A' ' 115' ' ' ASN . 29.0 m -47.3 -30.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.462 ' N ' HG21 ' A' ' 114' ' ' VAL . 74.6 m-20 -81.52 -26.59 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' ALA . 61.0 mt-30 -81.65 -54.01 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.523 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -42.68 165.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.91 0.386 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' LYS . 40.4 p -73.65 141.65 46.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.26 -55.37 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -50.88 -36.43 37.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' THR . 53.2 mmtt -76.82 -37.69 55.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.22 -53.15 43.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -59.4 -31.76 69.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -83.49 -29.29 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -71.24 -41.39 70.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.433 ' CG ' HD11 ' A' ' 77' ' ' LEU . 83.0 m-85 -103.21 13.07 34.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.31 68.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.04 -24.51 64.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.453 ' CB ' HD13 ' A' ' 108' ' ' ILE . 21.5 mt -56.25 152.55 22.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.63 0.728 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.44 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.47 -167.54 4.51 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -115.16 127.68 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.34 128.72 37.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -132.94 105.59 7.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.1 mt -98.11 117.01 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 47.7 pt -131.88 137.51 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -94.19 120.96 35.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 105' ' ' LEU . 35.6 mt -120.32 119.75 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -75.67 116.75 16.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -44.09 122.41 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' GLY . 24.7 t0 -78.19 176.06 9.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 24.7 ttpt -34.39 -37.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' ASP . 34.7 m120 -103.18 -25.73 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 107.73 170.68 21.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 mt -42.67 112.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.36 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.49 103.38 2.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 HD21 ' CB ' ' A' ' 64' ' ' ALA . 6.7 mt -146.72 135.53 22.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.3 m -87.36 115.58 24.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 mt -100.81 152.22 20.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -153.9 139.04 17.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.35 158.69 48.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 38.1 t-20 -60.86 146.27 47.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 38.3 mttm -34.46 -48.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -91.58 106.21 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.4 tpt180 -43.53 -53.49 5.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ARG . 32.7 t -35.27 -39.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -80.66 138.4 36.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.0 tpp -108.69 102.83 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -151.46 149.14 28.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.794 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.9 mt -113.15 135.34 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.513 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 76.6 m-85 -132.09 178.81 6.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.0 t -118.39 88.34 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.9 m -87.17 22.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.83 150.22 7.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ASN . 83.8 mt -131.99 93.92 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.114 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' ILE . 37.7 t30 -34.92 118.83 0.57 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -6.25 18.11 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.384 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -108.71 -8.9 15.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.09 177.28 49.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -38.78 7.19 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.433 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -53.64 -36.67 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.02 -40.81 62.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.81 -54.47 46.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.61 -42.18 64.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.97 41.57 40.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -121.76 -52.01 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.563 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 7.9 mtp -60.77 137.56 58.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -123.73 174.26 7.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.0 mm -79.7 128.21 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.04 -27.8 7.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.51 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 67.1 m-20 -46.67 140.62 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 25.0 tt0 -110.93 101.61 10.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.5 mt -52.18 135.39 32.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.433 HD11 ' CG ' ' A' ' 19' ' ' TYR . 16.7 mt -117.39 -45.36 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -141.97 152.86 43.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.6 mt -153.67 134.83 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.403 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 18.6 t-20 45.16 37.43 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 m120 67.96 46.66 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -147.41 106.5 3.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.7 mt -65.14 124.95 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' TYR . 11.5 mt -92.4 -33.03 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LEU . 54.7 t80 -35.79 98.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.99 14.37 7.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -129.88 172.7 11.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -89.16 149.01 23.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -53.22 -28.35 26.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -64.38 -37.03 86.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -69.58 -43.52 72.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.97 -59.26 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.5 p -52.9 -41.24 64.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.57 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.418 HD12 ' CD2' ' A' ' 84' ' ' LEU . 61.5 mt -62.32 -42.17 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.6 mt -63.94 -44.43 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -53.91 -42.92 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.3 p -74.89 -24.73 58.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.38 151.8 95.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.097 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.403 ' HD2' ' ND2' ' A' ' 80' ' ' ASN . 54.3 Cg_endo -69.74 172.44 12.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.36 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -40.32 -65.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -73.67 115.33 12.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 36.2 t -125.17 143.95 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -101.86 118.0 36.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.4 mt -106.35 130.28 54.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.2 t -119.81 99.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 35.5 p90 -128.34 168.71 15.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.453 HD13 ' CB ' ' A' ' 22' ' ' LEU . 5.5 tt -116.73 131.47 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -87.55 85.72 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -103.99 123.96 48.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.63 -40.86 88.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.77 -22.04 66.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -49.74 -56.33 10.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.6 m -43.12 -37.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -70.87 -32.57 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' ALA . 93.0 mm-40 -75.2 -65.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.513 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -42.1 128.33 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.965 0.412 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.5 p -83.91 144.29 29.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -64.21 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -41.79 -40.43 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -74.45 -36.52 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.39 -49.11 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -64.08 -41.32 97.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -73.44 -27.5 61.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -73.02 -39.52 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -105.58 13.15 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.68 -21.13 66.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.62 -27.11 61.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.1 mt -54.18 152.03 11.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -49.83 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.315 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.17 -177.82 17.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -104.66 132.95 50.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 tp -67.5 131.36 45.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -132.81 95.21 3.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.6 mt -91.59 109.07 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 29.5 pt -123.77 139.38 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -91.36 120.6 32.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 105' ' ' LEU . 58.4 mt -117.5 131.69 56.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.43 120.64 33.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -48.33 113.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -71.59 179.17 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -42.22 -28.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 1.7 t-20 -111.88 -14.87 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 97.32 169.31 33.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.41 121.35 4.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.6 113.21 3.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -148.83 138.94 22.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.809 0.337 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -88.47 101.81 14.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 mt -89.73 153.86 20.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.93 122.69 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -56.72 138.31 47.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.523 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' GLY . 28.8 t-20 -34.87 149.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -46.74 -42.51 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.54 121.87 30.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -56.5 -48.33 77.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.1 m -48.17 -28.78 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 -73.4 155.09 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 tpt -135.0 93.28 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.6 162.41 32.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.0 mt -113.09 133.86 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 67.1 m-85 -132.08 163.24 28.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.2 t -109.25 106.47 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 118' ' ' ALA . 14.1 m -100.96 5.41 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.26 149.77 11.52 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 72' ' ' ILE . 81.4 mt -132.43 103.63 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -44.65 121.45 4.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.601 0.715 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -11.44 30.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -100.45 -17.2 17.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.7 175.62 54.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -38.14 8.32 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.64 -32.59 29.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.42 -35.1 58.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.05 93.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -62.76 -52.47 63.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.26 -15.65 57.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -40.51 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.541 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 5.5 mtp -72.03 136.36 46.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -132.93 171.04 14.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.426 ' CD1' HG13 ' A' ' 58' ' ' ILE . 5.9 mm -74.42 120.2 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.7 -16.54 6.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.549 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.3 m-20 -54.12 153.66 4.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.75 0.309 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -126.0 95.5 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.8 mt -51.05 128.21 21.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.03 -44.12 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -146.61 154.73 41.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 80' ' ' ASN . 89.1 mt -150.86 143.07 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.443 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 15.7 t-20 35.1 50.03 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m120 58.04 54.27 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -156.9 105.24 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.87 129.18 28.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' TYR . 9.1 mt -97.43 -30.67 12.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' LEU . 48.2 t80 -36.12 100.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.98 26.55 4.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -135.83 -176.19 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -101.71 142.93 32.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -50.01 -27.03 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -61.91 -33.18 73.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -68.8 -54.37 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -37.94 -57.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.4 t -51.77 -42.14 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.42 94.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.416 HD11 ' CD2' ' A' ' 84' ' ' LEU . 92.7 mt -59.73 -42.69 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.57 -45.41 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.16 -44.81 68.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.9 p -73.86 -26.49 60.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.21 153.57 94.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.443 ' HD2' ' ND2' ' A' ' 80' ' ' ASN . 54.2 Cg_endo -69.79 171.49 14.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 m -40.66 -59.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -81.63 113.43 19.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.3 t -122.32 148.76 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -103.25 130.78 50.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 31' ' ' LEU . 9.8 mt -120.58 120.08 34.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.1 t -112.13 102.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 31.2 p90 -128.94 172.99 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.0 tt -120.47 134.76 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -92.7 83.39 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -102.18 113.8 27.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -52.61 -33.56 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -26.57 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -49.91 -53.64 24.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 27.4 m -41.9 -29.18 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -84.36 -43.09 15.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -68.1 -61.24 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.511 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 13.3 ptt? -46.64 152.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.432 ' O ' ' CG1' ' A' ' 56' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.936 0.398 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' ASP . 23.8 p -81.36 138.29 35.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.8 t70 -37.5 -62.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' ASP . 15.6 pt20 -38.13 -40.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -79.8 -36.84 36.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ASP . 77.6 mt -62.98 -49.72 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -59.84 -43.62 94.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -73.57 -27.91 61.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -71.73 -42.77 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -104.49 17.97 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.56 -21.41 66.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -68.21 -31.81 71.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.8 mt -50.58 151.67 3.89 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.722 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.254 . . . . 0.0 112.329 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.76 -157.06 0.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.531 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -127.98 130.27 48.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.58 129.23 39.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -133.73 102.5 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.402 ' CG2' ' HE3' ' A' ' 104' ' ' LYS . 33.7 mt -94.9 111.05 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 pt -121.19 143.64 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -98.91 116.98 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.8 mt -118.39 123.01 44.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' LYS . 8.6 tt0 -83.37 111.14 18.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' GLU . 6.1 mtmp? -35.05 122.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.5 t70 -80.23 178.37 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.8 mtpt -36.49 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' ASP . 6.5 m-80 -108.81 -36.01 6.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.0 -171.99 18.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.6 mt -69.35 85.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.55 106.75 2.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.6 mt -144.78 133.88 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -83.31 115.19 21.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.62 144.17 33.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.94 118.99 6.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.27 160.14 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.1 t-20 -59.98 144.96 47.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' ASN . 44.8 mttm -37.0 -49.42 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -85.4 108.76 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 49' ' ' SER . 7.4 tpt180 -46.46 -53.01 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' ARG . 17.5 m -37.3 -38.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -80.95 143.68 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.7 tpt -117.56 95.09 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -148.73 145.49 27.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 45.0 mt -101.96 139.82 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.518 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 79.9 m-85 -136.4 176.27 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.456 ' CG2' ' HE3' ' A' ' 70' ' ' MET . 84.5 t -120.32 105.96 17.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 m -102.81 9.44 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.39 153.79 17.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.4 mt -134.68 97.62 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.352 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -43.48 122.2 3.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.714 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.49 18.75 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.731 2.287 . . . . 0.0 112.309 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -101.28 -15.65 17.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.36 179.55 52.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.538 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.38 -36.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.37 -39.94 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.13 -47.44 77.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -61.01 -41.37 96.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.85 41.83 27.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -117.08 -60.05 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.547 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 8.4 mtp -57.54 151.39 16.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -139.26 176.47 8.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.2 mm -81.64 118.6 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.59 -21.24 6.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -53.23 158.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.499 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 33.8 tt0 -130.29 98.27 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.1 mt -51.74 131.36 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.2 mt -113.08 -40.42 3.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -147.34 150.59 35.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.1 mt -149.83 131.36 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 49.3 38.59 14.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 67.58 49.93 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -150.89 105.27 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.3 mt -64.23 125.7 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' GLY . 11.9 mt -94.39 -26.06 16.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -40.14 94.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 114.69 30.1 2.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -140.7 174.45 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.6 p -92.49 141.8 28.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.461 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 22.3 p80 -48.03 -41.27 25.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.461 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 80.0 mt-30 -51.33 -36.93 45.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -68.71 -47.86 65.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.35 -55.12 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -52.46 -41.03 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.92 87.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 82.7 mt -58.66 -43.06 86.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.79 -44.51 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -53.53 -43.77 68.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.1 p -75.07 -27.18 59.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.14 150.94 97.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.8 Cg_endo -69.74 168.6 21.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 100' ' ' PRO . 2.1 m -34.89 -59.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -82.64 119.05 23.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.0 t -127.03 133.5 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.402 ' HE3' ' CG2' ' A' ' 28' ' ' ILE . 14.1 tttp -87.29 119.96 28.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.6 mt -109.38 121.6 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.3 t -114.01 103.56 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.547 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 33.5 p90 -130.64 179.67 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.1 tt -123.56 133.56 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 tpp85 -90.91 89.43 7.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 112' ' ' ASP . 24.8 t-20 -115.47 107.41 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.447 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 14.3 pt-20 -51.31 -39.0 55.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 30.8 t0 -62.15 -28.37 69.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.46 -43.77 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 111' ' ' GLU . 35.0 m -41.92 -34.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -82.71 -41.79 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -61.37 -63.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.518 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 22.6 ptt? -48.9 145.89 3.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.909 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.963 0.411 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' ASP . 20.9 p -72.78 135.96 45.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -34.33 -49.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -52.11 -50.65 61.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -70.34 -30.65 67.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.408 HG21 ' CD1' ' A' ' 28' ' ' ILE . 73.0 mt -65.13 -47.27 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 6.5 ptm180 -68.37 -36.62 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -76.63 -28.52 56.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -68.87 -45.0 72.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -103.53 16.91 25.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.99 -18.17 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -73.25 -27.77 61.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 mt -56.29 151.62 26.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.553 0.692 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -49.65 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.466 ' N ' HD12 ' A' ' 108' ' ' ILE . . . -65.87 -173.64 4.81 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -108.27 119.27 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 5.1 tp -60.63 128.43 36.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -127.01 109.71 12.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.408 ' CD1' HG21 ' A' ' 15' ' ' ILE . 70.6 mt -99.31 99.6 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.443 HD11 ' CB ' ' A' ' 69' ' ' ARG . 23.5 pt -116.11 138.88 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -100.56 118.01 35.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.3 mt -114.75 125.91 54.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -81.75 110.29 16.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.468 ' HD3' ' CG2' ' A' ' 96' ' ' ILE . 16.2 mtmm -45.66 129.36 8.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 35' ' ' LYS . 23.4 t0 -89.78 175.75 7.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -34.23 -40.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -93.01 -40.98 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.09 178.41 15.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD1' HD21 ' A' ' 105' ' ' LEU . 28.7 mt -43.29 -49.54 6.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.57 86.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.3 mt -135.97 139.45 43.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.407 ' HB2' ' CA ' ' A' ' 57' ' ' GLY . 52.0 m -84.23 116.22 22.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.2 mt -106.88 153.55 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.88 112.18 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -44.0 133.61 6.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.5 t-20 -34.45 137.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 45' ' ' ASN . 11.6 mtpp -33.68 -52.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.419 ' HB3' ' CG ' ' A' ' 50' ' ' ARG . 7.7 t0 -75.68 127.07 32.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -59.47 -45.42 91.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -64.04 -16.66 62.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' CG ' ' HB3' ' A' ' 47' ' ' ASP . 8.3 mmt180 -86.15 97.17 10.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.2 tpp -78.73 100.06 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 p -166.43 151.63 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 89' ' ' HIS . 66.3 mt -109.92 135.26 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 66.9 m-85 -125.87 165.6 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 73' ' ' GLY . 87.5 t -105.17 104.86 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 m -104.42 20.62 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.407 ' CA ' ' HB2' ' A' ' 41' ' ' SER . . . 170.27 151.99 7.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -135.66 110.54 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -46.72 122.26 7.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.723 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.5 18.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.384 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -104.95 -21.58 13.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.45 175.7 52.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.443 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -35.94 11.86 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.64 -30.54 32.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.49 -35.7 19.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.52 -53.32 36.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -55.73 -34.76 65.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.85 42.24 79.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' CB ' HD11 ' A' ' 29' ' ' ILE . 2.9 mmp_? -117.81 -58.18 2.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.2 mtp -61.71 149.2 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -138.93 174.99 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.437 ' N ' HD13 ' A' ' 72' ' ' ILE . 5.1 mm -81.12 120.64 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . 125.01 -19.83 6.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.447 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.56 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 69.3 m-20 -59.45 130.68 48.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.777 0.322 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 43.1 tt0 -98.37 92.65 5.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.9 mt -44.1 136.36 3.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -119.38 -34.84 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -151.86 153.32 33.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.3 mt -152.08 129.63 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 49.59 32.52 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 74.81 44.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -144.06 105.4 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 39.1 mt -64.44 123.79 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 86' ' ' GLY . 14.9 mt -93.87 -26.83 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -41.95 94.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 119.45 13.42 6.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.2 mtt-85 -131.44 162.07 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.906 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.9 t -80.51 154.4 27.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.453 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 27.4 p80 -54.42 -42.22 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -49.41 -41.89 40.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -63.24 -48.3 78.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.97 -58.4 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.068 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.4 p -47.05 -47.03 22.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.69 -45.88 63.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 56.7 mt -57.35 -45.94 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.468 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 95.4 mt -61.54 -47.02 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -52.63 -36.61 56.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.1 p -87.9 -23.08 24.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.04 148.97 96.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.544 0.688 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 178.47 4.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 m -50.19 -63.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -73.69 107.99 6.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.3 t -123.47 144.56 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.429 ' HD3' ' CG2' ' A' ' 106' ' ' VAL . 5.4 ttmt -98.46 120.56 39.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' ' 38' ' ' LEU . 10.3 mt -106.48 99.86 9.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.429 ' CG2' ' HD3' ' A' ' 104' ' ' LYS . 60.5 t -92.14 108.47 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 53.1 p90 -135.33 -176.3 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 24' ' ' GLY . 5.9 tt -122.79 135.8 61.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 -95.45 111.58 23.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 111' ' ' GLU . 55.8 t-20 -145.31 147.79 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 9.9 pt-20 -84.0 -29.89 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.08 -22.58 59.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.0 65.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.414 ' HA ' ' CG ' ' A' ' 117' ' ' MET . 31.0 m -51.49 -22.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -88.33 -23.13 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -91.48 -30.16 16.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.519 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -75.87 141.67 42.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.915 0.388 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 p -75.64 144.42 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.189 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.44 -57.15 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -45.63 -35.33 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -81.01 -36.13 31.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.18 -45.77 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -67.54 -42.32 82.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -71.4 -31.18 66.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -70.03 -41.54 74.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -104.17 14.82 29.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.9 -20.88 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.82 -32.63 69.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.5 mt -50.84 149.55 6.12 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.425 ' HG2' ' ND2' ' A' ' 110' ' ' ASN . 53.6 Cg_endo -69.74 -49.92 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.39 -162.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -121.9 125.0 45.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.33 125.99 25.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -128.08 101.88 6.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.4 mt -97.04 110.29 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.466 ' HB ' ' CZ ' ' A' ' 69' ' ' ARG . 11.5 pt -130.27 148.25 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -104.07 146.19 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 105' ' ' LEU . 23.0 mt -141.62 120.97 13.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -73.13 111.37 8.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -40.23 123.61 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.3 t0 -80.75 178.57 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -37.53 -28.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' ASP . 10.4 m120 -113.93 -20.2 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 105.95 -166.78 14.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.98 107.98 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.92 108.35 3.66 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.421 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.455 ' CD2' HG12 ' A' ' 58' ' ' ILE . 15.7 mt -148.11 137.34 22.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -88.0 108.56 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 mt -96.16 152.72 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.85 127.15 9.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.52 159.98 3.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -65.34 135.39 55.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 116' ' ' GLN . 14.5 mtpp -39.56 -43.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -87.56 108.5 19.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' SER . 11.2 ttm-85 -47.61 -57.24 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' ARG . 17.6 m -36.44 -37.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -85.9 154.86 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.7 tpp -131.15 101.71 5.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -148.78 150.77 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.3 mt -111.8 127.78 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 70.8 m-85 -121.08 174.51 6.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.9 t -117.66 95.04 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.1 m -94.56 23.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.75 147.82 6.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.455 HG12 ' CD2' ' A' ' 40' ' ' LEU . 92.3 mt -131.54 101.26 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -44.02 122.11 3.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.99 36.92 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.692 2.261 . . . . 0.0 112.38 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -93.15 -23.93 18.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.99 179.57 49.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.8 Cg_endo -69.76 -47.51 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.414 ' CB ' HD23 ' A' ' 40' ' ' LEU . . . -42.21 -32.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.93 -36.18 23.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.2 -53.48 48.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -56.8 -39.92 75.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.59 41.66 28.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' CZ ' ' HB ' ' A' ' 29' ' ' ILE . 24.0 mtm180 -118.98 -63.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.573 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 3.7 mtp -50.43 140.42 13.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -131.29 171.31 13.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.2 mm -76.17 128.68 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.5 -23.66 10.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.486 ' OD1' ' CE1' ' A' ' 107' ' ' PHE . 46.2 m-20 -53.74 136.59 39.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' OE2' ' CE1' ' A' ' 54' ' ' PHE . 40.7 tt0 -107.88 103.11 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.2 mt -56.12 139.31 47.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.2 mt -122.58 -39.06 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -146.68 150.08 34.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.7 mt -149.96 113.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 64.75 46.01 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 62.16 43.88 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -144.81 117.84 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.19 126.84 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 mt -98.99 -24.92 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -40.81 99.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.26 31.33 3.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -144.39 154.17 42.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 t -70.97 139.78 50.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.549 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 20.0 p80 -41.06 -50.38 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.549 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 48.9 mt-30 -42.84 -42.15 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -58.42 -55.56 33.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.87 -59.61 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.0 t -47.79 -45.96 29.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.55 -50.15 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.6 mt -55.44 -39.91 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.23 -46.38 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -51.54 -45.39 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.0 p -77.5 -19.14 56.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.97 152.48 92.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.075 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 101' ' ' SER . 54.0 Cg_endo -69.78 166.7 26.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' PRO . 66.5 m -35.11 -57.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -82.06 122.04 27.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.1 t -129.14 128.84 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -84.92 120.92 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 31' ' ' LEU . 7.1 mt -107.97 123.59 48.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.3 t -115.02 102.82 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 23.6 p90 -130.14 171.11 13.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.9 tt -116.67 138.26 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -95.35 94.81 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.425 ' ND2' ' HG2' ' A' ' 23' ' ' PRO . 59.7 t-20 -119.75 123.56 44.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -65.38 -11.23 40.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -96.23 -18.68 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -70.43 -18.19 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 27.3 m -73.32 -15.54 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -104.51 -19.48 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.452 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 75.0 mt-30 -79.52 -33.32 42.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.46 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 22.9 ptt? -72.59 125.99 28.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.923 0.392 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' ASP . 33.1 p -60.49 135.26 57.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -34.85 -62.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -40.32 -47.8 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -68.67 -33.28 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' ASP . 93.8 mt -66.52 -52.02 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -61.95 -29.78 70.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.12 -33.34 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttm-85 -66.45 -45.89 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.48 ' CG ' HD12 ' A' ' 77' ' ' LEU . 85.0 m-85 -99.13 14.08 30.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.88 -7.36 33.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -86.6 -19.61 29.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.42 151.53 91.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.359 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.99 -169.81 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.22 132.34 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 tp -75.42 129.89 38.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -134.19 110.47 9.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.0 mt -100.59 111.53 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.441 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 18.4 pt -123.07 149.01 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -110.22 111.8 23.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.7 mt -109.1 129.26 55.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -83.8 112.58 20.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -39.16 132.17 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' GLY . 17.2 t70 -91.1 174.48 7.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 7.0 ttmm -34.25 -39.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -99.52 -27.64 13.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.474 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 124.19 -169.12 16.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HA ' ' CG ' ' A' ' 63' ' ' PRO . 12.1 mt -55.93 -49.21 74.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.3 88.46 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' CD2' HG12 ' A' ' 58' ' ' ILE . 18.8 mt -142.5 136.55 29.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -83.6 128.59 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -120.33 146.84 45.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.95 120.41 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.21 158.44 3.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -56.61 147.36 22.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' CE ' ' O ' ' A' ' 115' ' ' ASN . 38.5 mttm -37.77 -44.87 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.7 111.63 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' ARG . 44.5 ttt180 -48.48 -54.83 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 48' ' ' ARG . 46.6 m -35.47 -33.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' ARG . 7.5 mtp85 -84.53 134.13 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.5 tpt -104.03 97.22 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 m -153.27 140.03 19.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.2 mt -108.85 134.21 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CD2' ' HB3' ' A' ' 117' ' ' MET . 91.0 m-85 -124.75 -176.83 3.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.2 t -124.24 94.48 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.3 m -97.66 23.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.19 144.51 5.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.413 HG12 ' CD2' ' A' ' 40' ' ' LEU . 97.2 mt -132.46 103.43 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.113 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -39.19 119.0 1.19 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -9.13 25.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -105.21 -8.24 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.23 179.81 46.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.514 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.474 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.5 Cg_endo -69.78 -44.97 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.89 -24.61 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.44 -29.82 21.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.2 43.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -31.18 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.02 32.92 85.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -107.81 -54.51 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.534 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 8.6 mtp -68.17 138.59 55.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -130.97 169.84 15.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 72' ' ' ILE . 4.6 mm -74.37 118.36 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.58 -11.27 6.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -65.03 147.44 53.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.73 102.33 9.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.7 mt -56.75 124.54 18.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.48 HD12 ' CG ' ' A' ' 19' ' ' TYR . 34.5 mt -108.34 -38.28 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -151.36 152.69 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.466 HD13 ' CD2' ' A' ' 105' ' ' LEU . 45.0 mt -150.5 136.75 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' ILE . 10.3 t-20 37.28 47.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.18 53.31 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -155.88 106.92 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.17 144.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.9 mt -128.46 9.07 6.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 53.7 t80 -77.82 9.35 3.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.43 21.86 1.07 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -131.93 165.14 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 t -81.71 148.14 29.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -53.33 -21.92 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -67.76 -30.0 69.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -78.63 -35.67 45.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.97 -58.17 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -51.03 -43.18 60.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.35 -49.74 73.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.6 mt -53.89 -42.6 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.94 -47.87 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -53.55 -44.47 69.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 46.0 p -78.26 -14.73 59.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.13 150.7 74.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 172.2 13.06 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.3 m -40.22 -67.44 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -73.8 111.43 8.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.7 t -118.87 132.02 69.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -90.77 121.04 32.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 79' ' ' ILE . 5.9 mt -113.18 127.33 56.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.9 t -116.06 101.28 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.534 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 37.7 p90 -126.51 174.53 8.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.6 tt -124.86 124.14 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -82.49 133.04 35.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -155.66 121.81 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -63.52 -11.3 23.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.19 -21.06 18.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.67 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.5 m -53.23 -21.73 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.455 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 70.0 m-80 -101.16 -31.92 10.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -59.72 -46.44 89.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.491 ' HB3' ' CD2' ' A' ' 54' ' ' PHE . 4.6 ptt? -66.49 148.35 52.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.897 0.38 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.3 p -82.76 146.22 29.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -47.86 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -55.63 -38.29 69.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.46 -38.11 55.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.4 mt -61.78 -53.24 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -60.42 -46.58 89.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -66.8 -32.52 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HD3' ' CE2' ' A' ' 19' ' ' TYR . 8.7 ttt85 -66.61 -49.02 67.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.483 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 84.7 m-85 -100.06 13.67 33.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -14.37 55.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.24 -26.77 42.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.82 151.7 14.93 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.571 0.7 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -49.68 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.32 -176.56 4.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -107.89 124.4 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 tp -62.23 131.81 50.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -134.28 107.35 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.1 mt -100.29 109.29 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.7 pt -120.52 142.48 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -95.66 114.57 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 105' ' ' LEU . 76.0 mt -109.41 135.79 49.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -94.96 124.68 39.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -57.17 111.11 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LYS . 71.0 m-20 -74.32 -178.91 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' ASP . 39.4 tttt -36.94 -38.27 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -104.39 -21.6 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.96 -154.65 16.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.452 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.35 105.41 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.12 101.2 2.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CD2' HG12 ' A' ' 58' ' ' ILE . 10.1 mt -143.23 136.74 28.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.9 m -94.57 113.59 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -95.39 158.33 15.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.37 122.05 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.3 147.23 17.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 37.9 t-20 -50.02 147.43 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.493 ' CE ' ' O ' ' A' ' 115' ' ' ASN . 33.9 mttm -35.88 -45.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -96.96 117.17 30.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -51.07 -51.09 56.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.2 t -43.92 -24.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -91.81 97.87 11.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.3 tpt -75.19 96.24 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -154.16 149.23 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.5 mt -102.07 145.35 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 59.4 m-85 -145.24 155.74 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.2 t -101.23 106.04 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.5 m -101.23 9.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.71 146.41 7.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 70' ' ' MET . 98.3 mt -135.71 109.52 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -48.0 119.98 7.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -9.34 25.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -106.23 -7.91 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.86 176.54 45.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.429 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -37.29 9.48 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.399 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.4 -28.71 60.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.4 -37.85 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.68 -59.42 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -48.95 -37.92 21.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.53 45.19 60.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.412 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 3.9 mmp_? -124.94 -35.95 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 0.0 110.89 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.572 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 9.3 mtp -86.42 121.99 29.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.498 ' CD ' ' N ' ' A' ' 71' ' ' ARG . 1.3 mpt_? -108.69 -174.96 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.6 mm -87.52 122.85 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.17 -25.26 6.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -49.01 145.19 4.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.771 0.319 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 33.3 tt0 -114.93 100.78 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.0 mt -53.41 128.66 29.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.8 mt -109.94 -41.17 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -140.63 153.55 46.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.0 mt -152.72 116.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 56.39 50.26 13.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 59.95 50.38 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -154.54 111.25 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.5 mt -71.56 123.77 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 86' ' ' GLY . 11.7 mt -93.16 -22.15 19.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -42.92 92.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 115.6 26.51 3.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -134.97 176.0 9.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 99.0 p -88.52 137.83 31.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -48.86 -37.13 18.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -55.94 -36.57 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -65.91 -51.59 57.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.24 -55.15 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.1 m -54.19 -37.45 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.6 83.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.402 HD12 ' CD2' ' A' ' 84' ' ' LEU . 98.5 mt -56.46 -38.69 57.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.95 -46.79 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -52.73 -44.84 66.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.5 p -73.12 -26.44 61.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.61 154.04 93.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.593 0.711 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.7 Cg_endo -69.76 170.49 16.45 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 100' ' ' PRO . 24.0 m -38.34 -64.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.46 117.36 19.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 18.5 t -124.83 136.96 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -93.6 119.12 32.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.435 ' CD1' HD13 ' A' ' 31' ' ' LEU . 7.0 mt -110.0 124.23 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.4 t -111.65 101.27 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 21.9 p90 -125.78 176.12 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 tt -114.46 152.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.4 ttt-85 -109.34 102.42 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -135.41 109.81 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -60.46 -15.76 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 88.0 m-20 -83.75 -30.66 26.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.409 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . . . -48.9 -36.43 17.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.077 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 25.4 m -41.83 -29.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 116' ' ' GLN . 5.0 p30 -88.22 -38.46 15.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.499 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 37.9 mt-30 -65.81 -35.66 81.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.446 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -76.51 140.53 41.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.886 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LYS . 80.6 p -76.84 143.02 40.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.89 -42.66 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -58.04 -38.73 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 11' ' ' THR . 56.4 mmtt -81.23 -32.71 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.3 mt -66.66 -45.8 87.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 32.5 ptt180 -65.83 -41.46 91.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -72.95 -33.91 66.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -69.07 -40.83 78.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.483 ' CG ' HD11 ' A' ' 77' ' ' LEU . 73.8 m-85 -104.9 14.12 30.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 16' ' ' ARG . . . -67.71 -18.03 64.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -73.05 -29.7 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 24.2 mt -54.69 151.67 14.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.65 0.738 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.6 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.331 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.15 -179.75 6.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -105.76 124.55 49.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 tp -59.08 133.29 55.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -132.66 102.63 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.439 ' CG2' ' HE2' ' A' ' 104' ' ' LYS . 39.4 mt -97.96 110.91 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.445 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 20.7 pt -129.76 138.02 55.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -94.55 115.03 27.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 105' ' ' LEU . 48.1 mt -111.87 126.62 55.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -81.66 120.36 24.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -46.15 110.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' ASN . 24.0 t70 -67.58 175.18 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' ASP . 77.3 tttt -37.71 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' ASP . 21.0 m-20 -110.94 -24.78 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 110.31 -171.46 14.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.35 91.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.31 111.29 3.45 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -146.68 136.44 23.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.0 m -83.44 107.13 15.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 mt -97.61 135.65 39.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.32 117.37 11.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.01 135.12 22.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 32.1 t-20 -37.03 150.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 32.2 mttm -40.81 -48.98 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -88.21 127.63 35.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -67.85 -21.97 65.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -71.37 -20.44 62.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -105.83 94.7 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.9 tpt -70.6 105.18 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -150.25 151.27 32.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.7 mt -110.74 128.06 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 69.7 m-85 -129.1 159.49 35.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.7 t -101.92 96.15 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 m -93.17 11.2 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.93 151.72 11.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.422 HG13 ' CD1' ' A' ' 72' ' ' ILE . 85.2 mt -134.79 94.65 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -47.12 124.98 8.73 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.3 Cg_endo -69.84 -5.27 15.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.73 -28.31 16.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.7 -178.85 50.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.451 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.2 Cg_endo -69.85 -49.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -37.88 -40.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -68.95 -41.05 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -65.14 -38.47 90.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -64.75 -44.75 89.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.76 -13.82 22.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -72.5 -49.51 32.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.501 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 7.1 mtp -65.38 134.85 54.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -130.84 173.85 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.422 ' CD1' HG13 ' A' ' 58' ' ' ILE . 6.1 mm -75.78 119.81 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 129.16 -19.96 5.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.528 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.513 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.7 m-20 -58.4 152.28 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.471 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 29.8 tt0 -125.57 105.7 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.61 129.49 42.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.483 HD11 ' CG ' ' A' ' 19' ' ' TYR . 16.1 mt -110.41 -39.71 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -146.46 150.25 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 80' ' ' ASN . 55.0 mt -147.41 139.38 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 79' ' ' ILE . 18.6 t-20 34.3 49.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 61.04 53.8 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -159.5 110.69 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.3 mt -67.52 131.18 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.2 mt -97.85 -21.32 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -50.89 101.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 124.22 -29.91 4.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -90.68 167.62 12.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.327 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.5 t -86.71 147.64 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -46.18 -36.41 5.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -52.53 -40.19 62.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -67.54 -49.6 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -42.52 -62.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -47.01 -35.26 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.75 91.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.59 -43.81 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.56 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -53.8 -43.82 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 49.4 p -76.41 -26.59 55.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.37 149.26 98.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.567 0.699 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.6 Cg_endo -69.79 171.96 13.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' PRO . 63.4 m -38.14 -65.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -76.06 122.4 24.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.4 t -132.28 143.87 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.439 ' HE2' ' CG2' ' A' ' 28' ' ' ILE . 45.8 tttm -94.92 126.22 40.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.454 ' CD1' HD13 ' A' ' 31' ' ' LEU . 8.8 mt -115.15 123.87 50.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.8 t -116.25 99.82 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.513 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 10.8 p90 -124.48 174.62 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 22' ' ' LEU . 5.8 tt -116.46 150.84 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 ttt-85 -110.25 103.09 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -130.15 135.66 48.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.93 -15.83 61.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.83 -26.12 24.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -49.59 -49.25 47.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 27.5 m -49.41 -27.44 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -88.6 -36.87 16.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -68.25 -57.61 5.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.498 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 21.7 ptt? -51.22 138.94 19.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.914 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.4 p -79.16 143.44 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.73 -55.66 2.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -52.56 -39.7 61.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -73.92 -31.78 63.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.3 mt -71.46 -51.85 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 7.5 ptm180 -63.98 -29.82 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -83.4 -29.94 27.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.1 ttm-85 -68.7 -46.16 69.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.499 ' CG ' HD13 ' A' ' 77' ' ' LEU . 80.4 m-85 -99.41 12.53 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -7.76 16.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.39 -19.36 25.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.84 148.8 86.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -49.75 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.421 ' N ' HD13 ' A' ' 108' ' ' ILE . . . -59.21 -177.7 1.07 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -103.98 121.84 43.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.409 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 7.2 tp -70.7 124.49 24.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -127.71 106.99 9.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.3 mt -97.88 109.92 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.405 ' CD1' ' HB2' ' A' ' 69' ' ' ARG . 16.6 pt -121.27 150.7 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -107.34 116.51 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.408 HD11 ' CD1' ' A' ' 105' ' ' LEU . 40.5 mt -115.2 127.01 55.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' LYS . 8.2 tt0 -85.65 111.64 20.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' GLU . 15.1 mtmt -37.14 130.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' LYS . 10.9 t70 -91.88 -179.97 5.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' ASP . 14.4 tmtt? -34.39 -44.76 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -97.78 -35.3 10.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.58 -167.28 18.0 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.4 mt -70.86 70.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.77 95.06 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.452 HD21 ' CB ' ' A' ' 64' ' ' ALA . 11.4 mt -134.95 140.59 45.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.6 m -92.34 114.48 27.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 mt -102.98 149.53 24.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 118' ' ' ALA . . . -151.17 115.76 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.4 149.0 6.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' LYS . 31.1 t-20 -47.18 135.09 10.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' ASN . 27.8 mttp -34.66 -38.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.58 105.23 17.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -48.77 -38.53 22.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 t -50.31 -32.01 15.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -87.55 152.99 21.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.1 tpt -118.85 95.55 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -154.98 147.13 23.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.4 mt -112.98 140.7 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 80.2 m-85 -132.7 -178.41 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.0 t -121.6 93.35 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 m -87.44 13.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.68 151.08 8.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.414 HG13 ' CD1' ' A' ' 72' ' ' ILE . 91.5 mt -134.35 98.84 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -39.27 122.72 1.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -10.21 28.04 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -103.59 -8.22 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.39 179.11 46.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.452 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -44.59 -43.33 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.51 93.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.67 -34.39 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 6.9 t0 -68.51 -45.76 71.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.66 -20.87 12.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.405 ' HB2' ' CD1' ' A' ' 29' ' ' ILE . 17.7 mmm180 -60.54 -43.06 97.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.554 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 8.9 mtp -79.3 139.99 37.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -135.29 173.47 11.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.414 ' CD1' HG13 ' A' ' 58' ' ' ILE . 3.7 mm -76.33 115.99 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 124.15 -7.55 8.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.544 ' OD2' ' CE1' ' A' ' 107' ' ' PHE . 86.7 m-20 -73.84 129.99 39.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.776 0.322 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 14.7 tt0 -97.45 110.35 22.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.7 mt -64.14 122.21 16.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.499 HD13 ' CG ' ' A' ' 19' ' ' TYR . 14.5 mt -100.83 -46.44 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -137.73 152.04 48.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.4 mt -154.24 109.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 62.85 48.38 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 61.65 43.52 9.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -144.47 120.14 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.9 mt -70.81 144.13 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.1 mt -130.87 3.97 4.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.595 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 44.2 t80 -76.76 7.82 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.62 18.6 1.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -128.08 174.54 9.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.5 t -89.08 157.84 18.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -62.91 -23.95 67.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -66.0 -23.85 66.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -84.71 -41.59 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.99 -54.41 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t -56.42 -39.72 73.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.08 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.73 -46.04 95.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.33 -47.15 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -52.74 -46.73 67.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.9 p -73.07 -21.7 60.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.27 152.41 92.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 172.11 13.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.6 m -42.33 -63.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -77.77 112.27 14.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.1 t -116.64 150.27 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -107.96 111.66 23.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.408 ' CD1' HD11 ' A' ' 31' ' ' LEU . 6.7 mt -102.51 129.84 49.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.8 t -120.24 100.54 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.554 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 36.4 p90 -122.87 177.78 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.421 HD13 ' N ' ' A' ' 24' ' ' GLY . 7.8 tt -129.51 125.45 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -85.7 123.06 30.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -151.47 133.4 15.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.35 -10.86 59.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -95.32 -16.52 22.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.73 -35.35 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.5 m -59.92 -24.35 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -87.05 -35.87 18.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -73.26 -42.88 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.506 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -59.12 128.42 37.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 14.6 p -67.92 133.26 48.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -36.15 -57.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -49.24 -39.96 32.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' THR . 10.4 mmtm -75.64 -32.38 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.7 mt -65.05 -48.28 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -63.38 -48.6 77.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.6 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 -67.74 -45.0 76.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -100.64 17.63 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.97 -19.96 65.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.31 -29.69 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.6 mt -53.6 150.14 13.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.413 ' HG2' ' ND2' ' A' ' 110' ' ' ASN . 54.1 Cg_endo -69.74 -49.3 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 0.0 112.367 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.93 -173.31 3.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -109.35 127.56 54.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.32 133.08 48.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -134.32 108.05 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.1 mt -100.52 109.96 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.448 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 21.6 pt -122.34 146.38 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -100.93 114.08 27.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.8 mt -115.41 133.95 55.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -95.74 116.76 29.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -40.88 127.99 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.9 t70 -87.01 177.17 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -34.63 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' ASP . 10.3 m-80 -108.81 -23.66 11.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 107.92 -177.25 21.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.543 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.8 mt -59.71 109.93 1.03 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -100.26 105.48 2.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.406 HD21 ' CB ' ' A' ' 64' ' ' ALA . 7.0 mt -143.57 133.61 24.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.5 m -83.98 105.86 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.5 mt -92.32 152.57 19.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.53 123.44 5.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.91 153.41 6.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 27.9 t-20 -53.84 153.88 4.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.933 0.397 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 4.7 mtpm? -37.43 -34.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -105.91 147.65 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -5.54 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -85.86 -25.95 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -95.63 94.08 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.817 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.93 97.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -148.33 151.89 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.6 mt -115.83 134.95 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.465 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 66.6 m-85 -130.12 173.53 10.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.5 t -118.57 94.81 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 17.5 m -93.86 20.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.45 150.73 8.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.4 mt -133.23 102.86 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 111.137 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -41.68 118.61 1.91 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.736 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -11.19 30.33 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.395 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -104.37 -8.69 19.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.26 -179.43 46.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -49.25 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.406 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -43.99 -43.04 6.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.47 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.92 89.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.405 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 8.9 t70 -65.32 -49.36 69.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.51 -23.86 11.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.405 ' CG ' ' OD2' ' A' ' 67' ' ' ASP . 16.5 mmm180 -57.08 -45.68 83.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.448 ' HG3' ' CD1' ' A' ' 29' ' ' ILE . 9.5 mtp -71.87 146.0 48.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -143.49 166.24 25.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.5 mm -68.94 118.29 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.09 -21.39 5.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.591 ' CG ' ' CE1' ' A' ' 107' ' ' PHE . 85.2 m-20 -54.73 153.93 5.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -125.96 98.1 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.3 mt -51.35 123.63 10.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 mt -105.06 -43.81 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -143.97 152.33 40.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.5 mt -150.58 124.6 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 51.93 47.07 25.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.3 m120 60.95 53.66 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -156.29 107.66 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.2 mt -68.49 133.05 32.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 86' ' ' GLY . 11.9 mt -104.03 -21.05 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -44.89 94.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 118.46 11.46 7.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.488 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -124.82 173.6 8.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.819 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 76.8 p -86.94 153.5 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -59.09 -39.48 82.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -53.63 -34.04 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -69.28 -42.78 75.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.03 -63.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.1 p -44.91 -40.0 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.52 71.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.1 mt -56.19 -39.86 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 88.3 mt -65.22 -46.2 91.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -52.05 -46.39 65.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -73.71 -28.33 61.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.82 151.35 96.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.54 0.686 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.7 Cg_endo -69.8 171.31 14.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.649 2.233 . . . . 0.0 112.359 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 100' ' ' PRO . 39.6 m -36.68 -64.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -77.0 119.02 20.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 32.2 t -127.46 129.23 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -80.62 124.94 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.9 mt -116.45 115.11 25.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.3 t -108.96 103.15 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.591 ' CE1' ' CG ' ' A' ' 74' ' ' ASP . 42.8 p90 -125.67 179.93 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 7.8 tt -127.96 120.85 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -80.69 94.65 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.413 ' ND2' ' HG2' ' A' ' 23' ' ' PRO . 61.4 t-20 -115.27 122.53 46.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -64.51 -15.32 60.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -94.06 -12.08 29.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.5 -27.64 62.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.7 m -53.26 -34.37 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -90.7 -45.55 8.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -46.8 -29.14 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.465 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 17.9 ptt? -87.42 122.6 31.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 117' ' ' MET . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.893 0.378 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' ASP . 20.6 p -79.53 137.56 37.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' ILE . 10.0 t70 -36.41 -61.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' ASP . 7.6 pt20 -37.67 -45.4 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -75.98 -34.91 59.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 12' ' ' ASP . 86.5 mt -62.74 -50.46 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 2.4 ptm85 -61.45 -39.17 89.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -74.09 -32.41 63.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -69.48 -42.94 74.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -103.21 16.91 25.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.0 -25.58 64.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.09 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.64 -30.69 71.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 mt -53.79 151.17 12.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.543 0.687 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -49.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.702 2.268 . . . . 0.0 112.38 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -166.05 0.32 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -120.12 125.23 47.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 tp -63.59 130.15 43.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -132.51 109.99 10.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.418 ' CD1' ' OD1' ' A' ' 12' ' ' ASP . 36.2 mt -99.57 115.79 41.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 42.7 pt -128.53 139.27 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -97.79 120.1 37.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.7 mt -121.28 124.2 44.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -81.2 114.27 19.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -39.15 123.1 1.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 35' ' ' LYS . 13.6 t70 -80.43 175.1 10.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -34.19 -39.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -100.8 -33.4 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.63 -178.13 16.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.05 94.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.82 103.99 2.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 58' ' ' ILE . 39.8 mt -140.77 133.67 29.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -86.92 110.81 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.19 150.07 21.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.02 113.43 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.401 ' O ' ' CB ' ' A' ' 118' ' ' ALA . . . -41.76 163.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' LYS . 21.2 t-20 -64.49 146.57 54.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.849 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.462 ' N ' ' HB3' ' A' ' 118' ' ' ALA . 4.9 mtpm? -37.79 -45.87 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.85 106.59 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' SER . 9.1 ptt85 -42.26 -51.32 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' ARG . 5.8 m -37.55 -37.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -82.34 148.36 28.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.6 tpt -121.39 104.57 9.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.66 144.3 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.4 mt -100.21 130.19 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 60.9 m-85 -125.95 167.39 15.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.7 t -115.57 89.13 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.3 m -91.41 22.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.42 151.34 8.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.427 HG12 ' CD2' ' A' ' 40' ' ' LEU . 98.6 mt -134.79 97.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 111.114 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.413 ' CG ' ' HG2' ' A' ' 61' ' ' GLU . 9.1 t-20 -42.84 118.89 2.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.666 0.746 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.441 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.4 Cg_endo -69.8 0.08 6.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HG2' ' CG ' ' A' ' 59' ' ' ASN . 10.4 pt-20 -102.51 -25.37 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.81 -175.77 49.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.4 Cg_endo -69.81 -49.03 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.29 -36.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.441 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -82.26 -34.71 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -67.93 -53.11 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -60.12 -36.1 76.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.83 48.74 59.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.527 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -122.29 -43.93 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.559 ' HE2' ' CD2' ' A' ' 107' ' ' PHE . 6.0 mtp -72.45 153.53 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -138.38 174.31 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.459 HG23 ' CE ' ' A' ' 117' ' ' MET . 7.8 mm -81.42 119.76 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.53 -18.96 6.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.448 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.4 m-20 -60.85 136.53 58.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -108.83 100.04 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.2 mt -50.2 136.11 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.2 mt -118.85 -39.2 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.402 ' C ' HG13 ' A' ' 79' ' ' ILE . 47.3 mt-10 -148.09 151.62 35.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 78' ' ' GLU . 90.2 mt -152.0 131.32 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 48.67 43.26 20.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.0 m120 62.64 54.44 2.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -154.9 119.6 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.6 mt -74.47 127.38 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 95' ' ' ILE . 7.9 mt -101.66 -20.42 15.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -47.69 96.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.35 30.92 2.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -145.36 166.11 26.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.0 p -77.8 146.15 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -49.17 -46.06 44.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -45.86 -41.77 11.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -59.72 -48.96 79.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.08 -62.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -49.4 -41.0 38.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.25 73.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.455 HD11 ' CD2' ' A' ' 84' ' ' LEU . 81.1 mt -54.26 -39.56 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 83.4 mt -65.17 -47.29 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -51.25 -42.55 61.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.3 p -75.28 -25.1 57.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.43 154.36 94.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.067 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 174.94 8.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -44.06 -57.0 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.807 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -81.03 116.12 20.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.9 t -126.24 142.08 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -99.59 117.52 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.8 mt -106.78 120.02 40.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 93.2 t -110.15 102.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.559 ' CD2' ' HE2' ' A' ' 70' ' ' MET . 31.9 p90 -128.4 171.97 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.2 tt -112.32 155.79 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -112.07 94.19 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 112' ' ' ASP . 31.1 t-20 -124.28 114.99 20.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.49 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 13.2 tt0 -51.13 -42.65 60.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 1.1 m-20 -60.88 -28.91 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.69 -42.59 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 111' ' ' GLU . 28.5 m -44.13 -33.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -91.6 -51.86 5.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -45.16 -38.18 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.517 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 22.4 ptt? -68.82 124.46 23.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.462 ' HB3' ' N ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.913 0.387 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' ASP . 43.4 p -88.15 141.13 28.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -34.82 -65.42 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 14' ' ' LYS . 9.3 pt20 -38.63 -42.54 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 5.0 mmpt? -76.26 -39.64 53.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 89.5 mt -58.58 -49.29 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -63.74 -39.87 95.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -73.23 -27.43 61.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -74.58 -39.69 62.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -107.48 14.33 25.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.1 -19.09 65.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.086 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -72.89 -27.59 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.5 mt -54.99 152.05 14.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.69 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.76 -175.44 6.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.65 126.11 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.9 tp -59.0 134.16 56.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -131.8 96.4 3.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.8 mt -91.43 105.74 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 33.0 pt -123.9 136.99 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -95.71 124.27 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 105' ' ' LEU . 14.8 mt -122.36 125.83 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -82.34 112.35 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HD3' ' CG2' ' A' ' 96' ' ' ILE . 5.5 mtmp? -39.92 131.55 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.3 t0 -92.0 -178.36 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ASP . 22.0 ttmt -35.56 -32.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ASP . 91.1 m-20 -114.3 -21.98 10.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.74 -166.68 12.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.8 98.84 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.67 99.26 2.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 64' ' ' ALA . 9.2 mt -135.69 136.93 41.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 110.934 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.9 m -83.6 100.88 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.19 143.93 25.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.66 123.44 10.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.19 155.62 7.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -53.02 138.94 29.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' A' ' 116' ' ' GLN . 13.7 mtpp -46.79 -35.08 5.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -94.73 112.29 24.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' ARG . 25.7 ttt180 -48.49 -61.67 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ARG . 74.6 m -36.65 -33.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' ARG . 8.1 mtt85 -94.81 140.12 30.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.3 mmt -115.25 130.63 56.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 m -175.64 151.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.5 mt -115.63 123.36 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CZ ' ' OE2' ' A' ' 75' ' ' GLU . 85.5 m-85 -119.01 178.72 4.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.1 t -119.78 95.84 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.436 ' CG1' ' SD ' ' A' ' 117' ' ' MET . 16.8 m -93.7 20.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.92 150.8 7.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.9 mt -134.97 97.77 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 111.125 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -43.92 122.06 3.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.76 -13.97 35.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -91.74 -22.72 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.25 -178.72 49.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.5 Cg_endo -69.76 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.469 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -38.25 -44.39 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -69.04 -36.49 77.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.88 -51.88 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.31 -32.96 70.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.86 46.71 93.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -122.27 -50.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.447 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 5.7 mtp -64.78 146.23 55.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 70' ' ' MET . 11.6 mmt-85 -130.5 177.15 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.8 mm -82.31 119.84 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.26 -20.04 7.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.552 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 71.7 m-20 -51.6 144.73 10.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.571 ' OE2' ' CZ ' ' A' ' 54' ' ' PHE . 42.7 tt0 -117.03 105.25 12.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.29 128.43 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.5 mt -111.37 -45.17 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -140.48 153.23 46.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 72.4 mt -154.0 131.92 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 48.95 33.91 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 71.88 53.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -154.7 124.86 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.7 mt -78.15 127.39 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 85' ' ' TYR . 11.0 mt -99.43 -29.91 12.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' LEU . 58.8 t80 -37.28 109.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.11 26.01 7.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -141.29 168.96 18.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.8 p -88.62 153.04 21.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -54.44 -39.24 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -50.31 -26.88 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -77.46 -41.06 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.84 -66.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.4 p -40.38 -42.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.49 -50.97 71.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.4 mt -55.15 -47.31 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.409 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 85.9 mt -60.49 -44.25 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -52.46 -43.65 65.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.1 p -77.05 -24.79 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.6 149.44 96.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.6 Cg_endo -69.78 170.92 15.46 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.318 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' PRO . 67.1 m -38.23 -55.47 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -82.21 117.1 22.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.6 t -127.89 140.45 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -95.42 125.05 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.435 ' CD1' HD12 ' A' ' 31' ' ' LEU . 4.9 mt -114.61 117.73 31.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.3 t -111.01 99.61 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 23.0 p90 -125.04 -176.56 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.9 tt -122.74 145.92 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -100.78 91.89 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -125.93 127.15 45.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.438 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 17.1 pt-20 -69.33 -33.46 73.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.85 -28.5 68.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.75 71.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.457 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 16.5 m -52.18 -22.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -92.62 -19.08 22.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.41 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 56.3 mt-30 -88.86 -38.58 14.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.513 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 25.9 ptt? -66.19 137.74 57.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.946 0.403 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LYS . 12.3 p -77.99 135.26 37.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' THR . 1.9 m-20 -35.98 -38.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -61.59 -48.81 79.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 11' ' ' THR . 24.8 mmmt -72.22 -24.38 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.1 mt -74.62 -46.56 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 17' ' ' GLN . 6.9 ptm180 -66.76 -37.65 85.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 18.5 mt-30 -74.14 -33.13 63.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 14.2 ttm105 -70.09 -39.42 75.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -105.34 13.33 30.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.87 -27.99 67.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -64.08 -29.39 70.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.403 ' CB ' HD11 ' A' ' 108' ' ' ILE . 24.6 mt -52.46 152.21 6.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -49.62 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.1 -171.1 4.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.401 ' C ' HG13 ' A' ' 108' ' ' ILE . 6.1 tp10 -112.89 135.12 54.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.6 tp -68.83 132.06 46.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -131.67 94.85 3.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.2 mt -88.57 108.02 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 15.4 pt -125.49 136.26 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -97.3 113.82 25.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.3 mt -109.67 121.98 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.39 119.99 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -55.84 120.59 7.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ASN . 21.8 t0 -79.43 176.43 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ASP . 14.0 pttm -36.64 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . 30.0 t30 -98.9 -41.31 7.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.482 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 143.01 -128.15 3.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.434 ' HA ' ' CG ' ' A' ' 63' ' ' PRO . 74.6 mt -101.75 -47.98 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.59 91.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.2 mt -144.16 136.64 26.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.46 ' HB2' ' CA ' ' A' ' 57' ' ' GLY . 70.7 m -84.02 128.59 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 mt -120.4 147.73 44.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.08 118.0 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.04 150.29 8.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' LYS . 28.2 t-20 -46.39 144.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' ASN . 5.4 mtpm? -34.65 -46.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -98.98 125.07 44.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.5 ttp85 -50.82 -50.11 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.1 p -40.5 -35.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 mtt85 -85.34 140.75 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.4 tpp -116.73 101.36 8.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -149.19 135.7 19.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.8 mt -99.53 107.28 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 56.7 m-85 -105.39 168.52 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 82.9 t -112.97 98.0 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.3 m -95.19 6.96 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 41' ' ' SER . . . -172.0 152.79 18.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -134.82 105.73 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -44.59 113.03 1.58 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.4 Cg_endo -69.75 -3.56 12.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -103.59 -19.5 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.92 -174.15 46.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.6 Cg_endo -69.71 -47.97 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.0 -39.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -80.41 -44.37 19.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.25 -56.75 17.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -49.14 -35.23 16.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.3 39.3 94.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -118.51 -51.8 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.567 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 7.3 mtp -66.14 135.82 55.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -124.2 176.87 6.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.9 mm -82.78 120.48 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.089 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.93 -16.52 6.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.544 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.554 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 71.2 m-20 -58.74 160.75 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.309 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 27.2 tt0 -131.54 98.51 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.5 mt -51.94 135.03 31.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.4 mt -119.47 -43.9 2.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.962 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -142.79 148.88 37.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 80' ' ' ASN . 71.2 mt -147.65 135.56 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.42 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 14.0 t-20 44.94 35.35 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.9 t30 71.93 41.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -142.73 108.36 5.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.48 129.08 29.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mt -99.36 -21.3 16.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -46.34 98.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.54 3.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -144.31 163.17 34.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.9 p -78.31 147.92 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -51.09 -42.62 60.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -49.51 -41.99 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -60.57 -52.18 66.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -41.02 -63.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.6 t -44.11 -39.54 4.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.37 -55.35 35.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.8 mt -50.48 -43.08 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 98.3 mt -62.15 -47.31 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -50.86 -42.76 59.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.2 p -77.45 -27.59 52.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.4 149.5 91.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.561 0.696 . . . . 0.0 111.119 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 101' ' ' SER . 54.1 Cg_endo -69.71 169.59 18.48 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 100' ' ' PRO . 1.2 t -35.78 -63.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.47 123.0 25.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.3 t -130.44 142.86 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -100.18 120.88 40.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 mt -109.74 121.81 46.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.37 102.49 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 17.9 p90 -131.65 175.15 9.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.403 HD11 ' CB ' ' A' ' 22' ' ' LEU . 10.8 tt -119.2 142.05 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.2 tpp85 -100.59 109.61 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 113' ' ' ALA . 30.5 t-20 -136.29 106.97 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.502 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 5.1 tp10 -44.35 -42.09 6.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -62.09 -33.16 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 110' ' ' ASN . . . -50.37 -43.21 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 111' ' ' GLU . 18.8 m -47.27 -28.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -87.26 -47.07 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -56.94 -35.47 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.491 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 18.9 ptt? -72.53 123.29 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 117' ' ' MET . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.919 0.39 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 21.5 p -80.84 144.14 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -38.48 -41.59 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -61.07 -41.87 97.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 14.8 mmtp -78.59 -27.38 45.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.2 mt -71.87 -45.3 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -66.72 -39.23 87.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -74.06 -31.19 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -69.84 -41.18 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -103.12 11.57 36.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.14 -21.91 66.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -31.86 69.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.6 mt -52.4 151.77 7.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.49 -171.5 1.87 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -112.33 133.77 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.24 133.77 46.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -138.21 108.58 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.9 mt -99.94 114.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.437 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 49.7 pt -128.03 137.72 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -98.12 108.81 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.402 HD12 ' CD1' ' A' ' 105' ' ' LEU . 22.8 mt -104.83 126.0 51.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -79.61 110.99 15.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HD3' ' CG2' ' A' ' 96' ' ' ILE . 17.1 mtmm -46.54 120.51 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 36' ' ' ASN . 27.4 t0 -79.3 179.75 7.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -44.23 -22.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 34' ' ' ASP . 7.3 p30 -108.63 -39.79 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.57 -172.93 15.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.41 ' CD1' HD21 ' A' ' 105' ' ' LEU . 21.3 mt -66.13 74.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.34 93.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 58' ' ' ILE . 8.2 mt -137.98 139.59 39.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 m -92.8 111.2 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -95.71 150.82 19.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.404 ' HB1' ' CG1' ' A' ' 56' ' ' VAL . . . -151.98 128.67 10.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -65.66 136.84 36.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.436 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' LYS . 26.3 t-20 -35.68 141.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' ASN . 27.5 mttm -34.69 -46.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.47 109.57 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -47.87 -47.23 31.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.9 m -46.46 -28.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -89.4 94.64 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.9 tpt -70.88 94.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.6 149.05 30.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 mt -105.68 143.8 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 49.7 m-85 -140.08 173.58 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.3 t -114.74 100.67 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.404 ' CG1' ' HB1' ' A' ' 43' ' ' ALA . 15.2 m -100.72 19.14 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.08 151.49 7.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 59' ' ' ASN . 96.0 mt -134.23 98.96 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.169 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 58' ' ' ILE . 5.2 t-20 -34.84 120.8 0.57 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -12.66 33.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.25 . . . . 0.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -104.7 -6.53 20.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.01 -178.33 47.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.17 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.731 2.287 . . . . 0.0 112.275 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.72 -41.31 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.33 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.43 -50.93 57.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -64.72 -29.37 70.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.72 40.11 98.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -112.92 -57.52 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.552 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 15.5 mtp -61.31 137.4 58.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 -120.53 175.51 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.3 mm -83.48 122.59 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.95 -17.0 9.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.462 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -55.04 142.49 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.836 0.351 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 43.2 tt0 -110.75 94.1 4.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.4 mt -47.09 136.48 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.7 mt -117.73 -42.38 2.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.405 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.6 mt-10 -146.82 157.99 43.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.405 HG13 ' C ' ' A' ' 78' ' ' GLU . 74.5 mt -153.6 110.79 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 63.33 44.54 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.2 t30 66.48 48.19 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -149.82 110.2 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.1 mt -72.15 130.56 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mt -101.68 -22.36 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -39.97 107.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.78 29.88 6.35 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -139.68 169.05 18.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 86.6 p -87.25 150.47 23.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -59.23 -18.08 33.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -71.91 -25.62 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -80.64 -41.45 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.078 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -56.53 -41.04 76.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.92 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.2 mt -56.52 -44.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . 0.443 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 49.0 mt -62.82 -44.54 99.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -55.53 -35.45 65.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.5 p -87.13 -19.31 28.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.79 151.29 88.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.577 0.704 . . . . 0.0 111.073 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 173.21 11.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.652 2.234 . . . . 0.0 112.311 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.9 m -45.39 -63.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -76.44 112.63 13.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.443 ' CG2' ' NZ ' ' A' ' 33' ' ' LYS . 13.4 t -122.62 147.69 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -107.79 108.47 19.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.41 HD21 ' CD1' ' A' ' 38' ' ' LEU . 6.0 mt -92.95 139.16 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.3 t -125.95 102.97 10.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.552 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 39.2 p90 -128.82 179.63 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.2 tt -128.16 124.45 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -78.77 140.57 38.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -168.29 132.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.61 -21.47 57.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.4 -23.97 37.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -56.29 -50.76 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.0 m -40.55 -35.73 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -74.28 -40.21 62.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 113' ' ' ALA . 75.4 mm-40 -70.18 -51.74 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.438 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -53.77 140.38 30.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.934 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.882 0.373 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 12' ' ' ASP . 22.3 p -89.91 139.11 30.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 11' ' ' THR . 8.1 t0 -37.18 -39.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -56.94 -47.06 81.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' THR . 5.3 mmpt? -74.74 -29.95 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.84 -53.97 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 17' ' ' GLN . 16.0 ptt180 -56.96 -40.49 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.421 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 25.7 mt-30 -75.95 -32.24 59.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -66.09 -46.54 77.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.502 ' CG ' HD11 ' A' ' 77' ' ' LEU . 83.5 m-85 -99.94 13.81 32.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.07 -19.85 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.58 -16.16 60.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' CB ' HD11 ' A' ' 108' ' ' ILE . 40.6 mt -66.42 152.52 94.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.63 -175.6 4.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -108.98 126.03 52.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.867 0.365 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.42 127.24 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -130.14 106.85 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.0 mt -99.57 115.92 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 24.2 pt -130.15 139.72 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -100.06 122.94 43.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.3 mt -121.36 133.79 55.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -89.13 112.91 24.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -37.47 117.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -75.19 -175.17 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -45.44 -24.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -116.76 -20.04 9.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.32 -178.71 26.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.98 109.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -100.83 110.53 3.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.439 HD22 ' CB ' ' A' ' 64' ' ' ALA . 6.4 mt -147.2 137.35 23.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 110.937 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.7 m -90.04 103.0 15.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.7 mt -90.81 149.19 22.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.24 130.68 14.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.92 168.77 4.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.8 t-20 -76.12 139.91 41.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' ASN . 61.8 mttt -35.03 -48.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.68 112.45 22.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -49.4 -50.19 41.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.6 m -46.98 -33.7 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -89.24 123.93 33.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 mmm -99.4 129.18 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 m -174.96 142.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.6 mt -109.1 115.36 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 73.3 m-85 -111.51 170.08 8.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.7 t -112.99 95.99 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 m -96.49 23.74 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.41 149.27 6.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.8 mt -131.27 98.97 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.421 ' CG ' ' HG2' ' A' ' 61' ' ' GLU . 11.2 t-20 -39.29 118.32 1.18 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -4.43 14.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HG2' ' CG ' ' A' ' 59' ' ' ASN . 4.4 pt-20 -101.38 -23.27 14.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.61 -178.58 51.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.73 -48.67 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.439 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -39.31 -41.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.65 68.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.27 -48.67 74.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -61.74 -39.94 93.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.27 31.91 63.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -106.6 -52.69 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.429 ' HG3' ' CD1' ' A' ' 29' ' ' ILE . 7.3 mtp -62.96 137.55 58.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 5.7 mmm180 -124.13 168.74 12.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.2 mm -76.34 121.56 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.35 -21.44 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.599 ' CG ' ' CD1' ' A' ' 107' ' ' PHE . 77.4 m-20 -54.12 146.76 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -116.86 98.08 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.9 mt -50.35 127.25 16.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.502 HD11 ' CG ' ' A' ' 19' ' ' TYR . 19.8 mt -108.82 -45.97 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -144.38 155.98 44.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' ASN . 66.1 mt -151.05 139.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' ILE . 8.1 t-20 35.96 48.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 62.26 54.77 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -158.63 114.73 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.5 mt -73.03 129.12 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.9 mt -99.87 -21.91 15.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -44.45 106.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 114.39 -38.17 3.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -75.23 176.99 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.6 p -87.06 162.27 17.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -67.48 -34.91 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -59.38 -40.86 87.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -61.29 -42.32 98.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.95 -53.67 46.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -54.05 -34.81 61.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.12 91.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.2 -40.71 88.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.98 -44.72 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -53.56 -45.3 69.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.3 p -76.04 -19.69 58.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.69 152.31 93.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.619 0.724 . . . . 0.0 111.071 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 173.71 10.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 m -42.53 -64.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -77.06 110.58 11.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -116.0 141.9 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -97.82 125.33 42.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.8 mt -117.4 128.19 54.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.1 t -120.18 101.59 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.599 ' CD1' ' CG ' ' A' ' 74' ' ' ASP . 50.9 p90 -125.46 177.69 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.432 HD11 ' CB ' ' A' ' 22' ' ' LEU . 7.6 tt -125.43 123.66 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -79.67 110.09 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -134.21 106.75 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.417 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 11.9 tt0 -53.52 -22.91 9.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -78.26 -31.81 49.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.93 -37.52 63.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.419 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 24.4 m -49.23 -24.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -88.85 -46.88 8.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -54.7 -65.13 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.5 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 13.1 ptt? -42.56 128.41 3.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.924 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.955 0.407 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' LYS . 24.5 p -82.17 134.54 35.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -36.96 -48.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -55.57 -41.28 73.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' THR . 28.2 mmtm -78.37 -28.11 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 93.9 mt -70.02 -48.67 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -62.56 -42.33 99.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -70.17 -31.46 68.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 18' ' ' ARG . 15.5 ttm105 -69.35 -40.86 77.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.518 ' CG ' HD12 ' A' ' 77' ' ' LEU . 69.7 m-85 -104.1 14.55 30.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.3 -18.18 65.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.95 -28.1 49.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.459 ' CB ' HD12 ' A' ' 108' ' ' ILE . 24.3 mt -51.43 152.77 4.23 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -49.16 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.337 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.413 ' C ' HD13 ' A' ' 108' ' ' ILE . . . -66.52 -167.6 2.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -119.28 121.88 40.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tp -60.86 129.15 40.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -131.1 99.68 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.5 mt -88.96 109.5 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.448 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 16.0 pt -128.34 136.42 60.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -89.91 113.78 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.8 mt -107.67 118.92 38.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 108.79 12.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' NZ ' ' O ' ' A' ' 99' ' ' ALA . 10.7 mtmm -44.85 122.34 3.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' ASN . 23.3 t0 -79.85 177.41 8.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -40.77 -24.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' ASP . 12.7 p30 -107.96 -39.53 5.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.12 -174.41 15.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.84 89.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.14 97.09 1.51 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mt -135.77 137.86 42.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.353 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -84.83 105.37 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 89' ' ' HIS . 36.9 mt -91.03 144.77 25.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.41 119.1 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -58.88 135.41 52.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 46' ' ' LYS . 26.0 t-20 -35.7 137.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.384 . . . . 0.0 110.866 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' ASN . 41.5 mttm -34.16 -43.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -90.69 109.73 20.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -55.93 -23.23 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.0 p -65.47 -22.22 66.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -105.18 93.32 4.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 tpt -65.94 99.39 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.85 150.25 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 89' ' ' HIS . 62.1 mt -116.17 130.52 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 77.2 m-85 -128.86 -177.43 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.1 t -121.24 102.12 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 m -102.18 20.63 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.17 149.35 7.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.5 mt -135.05 98.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.377 . . . . 0.0 111.097 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -45.13 125.17 5.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.96 27.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -99.61 -17.22 17.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.51 179.2 53.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -45.82 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.673 2.248 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.77 -40.85 14.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.85 90.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.7 98.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -62.31 -45.95 90.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.74 -20.01 10.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -64.15 -47.07 81.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.448 ' HG3' ' CD1' ' A' ' 29' ' ' ILE . 4.5 mtp -64.29 137.36 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -133.86 170.81 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.7 mm -75.43 119.8 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 113' ' ' ALA . . . 126.92 -12.51 6.85 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.564 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 91.3 m-20 -60.62 146.32 45.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.732 0.301 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -116.64 96.78 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.1 mt -52.74 109.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.518 HD12 ' CG ' ' A' ' 19' ' ' TYR . 20.4 mt -91.22 -42.59 10.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -144.88 158.11 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.1 mt -153.57 130.57 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.435 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 19.9 t-20 45.47 42.33 7.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 m120 67.36 54.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -158.8 114.38 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.62 129.09 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 86' ' ' GLY . 10.8 mt -97.8 -22.82 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -40.72 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 114.2 29.19 2.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -141.76 165.94 26.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.6 p -86.59 145.49 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.418 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 15.2 p80 -49.37 -30.81 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.0 -35.39 73.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -72.21 -44.01 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -49.1 -53.79 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.6 p -51.24 -40.75 59.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.98 -49.5 76.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 69.7 mt -57.62 -36.91 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.3 mt -68.11 -46.75 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -49.83 -44.55 49.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.8 p -72.97 -31.27 64.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.456 ' O ' ' NZ ' ' A' ' 33' ' ' LYS . . . -64.61 146.9 98.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.435 ' HD2' ' ND2' ' A' ' 80' ' ' ASN . 53.7 Cg_endo -69.75 -171.52 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.2 p -50.75 -61.1 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -79.41 120.7 24.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.404 ' CG2' ' HZ2' ' A' ' 33' ' ' LYS . 21.7 t -129.57 131.1 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -81.97 116.76 21.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.8 mt -109.48 104.41 13.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 88.5 t -98.68 102.65 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 47.5 p90 -128.2 178.47 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.459 HD12 ' CB ' ' A' ' 22' ' ' LEU . 5.8 tt -128.26 125.47 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -81.36 94.91 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -116.58 116.17 27.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.16 -33.05 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.11 -25.14 64.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -48.32 -50.57 29.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.468 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 19.6 m -49.69 -28.19 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -85.34 -22.92 28.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -87.92 -59.26 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 114' ' ' VAL . 18.0 ptt? -52.93 144.1 15.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.08 179.91 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.934 0.397 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 p -90.08 144.38 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.82 -59.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -47.14 -37.18 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -77.22 -38.31 51.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.48 -49.78 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.2 ptt85 -64.93 -38.66 91.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.61 -28.99 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -72.52 -39.83 67.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.484 ' CG ' HD12 ' A' ' 77' ' ' LEU . 77.7 m-85 -104.62 13.92 30.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.96 -26.48 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -67.03 -29.44 69.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.4 mt -52.95 152.35 7.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.59 0.71 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.22 177.72 31.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.47 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.83 129.73 48.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 tp -61.11 128.59 37.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -127.78 98.43 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.6 mt -94.93 110.78 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 29.5 pt -124.81 147.86 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.49 123.14 43.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 105' ' ' LEU . 60.7 mt -124.42 134.37 53.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -95.26 119.43 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -43.75 117.12 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -76.54 173.97 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.6 pttp -34.58 -36.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' ASP . 6.1 t-20 -104.27 -22.83 13.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 105.64 174.1 23.9 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.1 mt -54.12 113.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.7 112.41 4.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -148.38 136.36 20.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -87.77 104.76 16.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.46 HD21 ' CG2' ' A' ' 53' ' ' ILE . 28.8 mt -92.37 150.95 20.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.77 113.13 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.58 143.68 3.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' LYS . 23.0 t-20 -49.4 137.74 14.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 115' ' ' ASN . 57.1 mttm -35.44 -52.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.68 108.54 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -47.07 -55.96 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -40.28 -36.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -90.02 96.61 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 mmm -76.03 125.68 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.02 144.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.46 ' CG2' HD21 ' A' ' 42' ' ' LEU . 22.4 mt -108.92 120.13 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 79.7 m-85 -113.96 178.68 4.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -119.97 95.52 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 m -94.27 17.54 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.45 145.8 6.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.404 HD11 ' C ' ' A' ' 71' ' ' ARG . 97.5 mt -134.82 97.06 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -39.05 125.4 1.26 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.672 0.748 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -17.58 37.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -95.92 -14.36 23.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.87 173.39 55.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -36.83 9.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.278 . . . . 0.0 112.319 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.41 -34.0 66.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.22 -37.78 66.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.64 84.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.416 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 6.6 t70 -66.33 -51.39 57.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.49 -20.8 38.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.416 ' CG ' ' OD2' ' A' ' 67' ' ' ASP . 7.7 mmt180 -62.36 -50.58 71.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.565 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 9.9 mtp -68.36 144.04 54.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.404 ' C ' HD11 ' A' ' 58' ' ' ILE . 13.3 mmt180 -142.73 178.86 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.6 mm -77.61 122.0 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 124.61 -26.32 5.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.416 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 81.9 m-20 -48.55 155.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.299 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 66.7 tt0 -128.19 95.66 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.0 mt -51.56 113.41 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.484 HD12 ' CG ' ' A' ' 19' ' ' TYR . 12.7 mt -94.93 -45.29 7.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -141.76 156.02 45.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 82' ' ' GLN . 89.8 mt -152.75 140.31 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.454 ' N ' HG22 ' A' ' 79' ' ' ILE . 17.6 t-20 37.99 40.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 68.28 41.99 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' ILE . 5.6 mm100 -144.68 113.16 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.6 mt -70.71 126.48 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.53 -24.37 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -45.63 104.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.76 -38.36 2.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.5 mtt-85 -77.6 176.22 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.6 m -91.27 146.64 23.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -50.17 -38.72 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -51.27 -42.25 60.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.12 -46.57 80.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -38.85 -64.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.0 p -49.8 -37.81 31.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.76 91.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.044 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.7 mt -63.33 -41.45 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.8 mt -65.27 -46.56 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -52.78 -43.0 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 80.5 p -76.26 -26.87 56.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.96 155.79 85.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.569 0.699 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 176.26 7.07 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.9 m -47.29 -58.97 3.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -81.61 117.19 21.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.8 t -126.72 147.98 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -101.67 122.91 44.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.438 ' CD1' HD11 ' A' ' 31' ' ' LEU . 11.9 mt -111.79 120.59 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.7 t -111.09 99.94 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 26.0 p90 -123.89 176.86 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.2 tt -121.52 125.68 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -80.0 87.07 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -116.08 114.75 24.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.415 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 2.8 pp20? -65.08 -27.08 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.3 -28.83 64.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.23 -36.84 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.453 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 26.7 m -43.05 -39.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . 0.459 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 28.8 m-80 -83.08 -42.95 16.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -57.62 -62.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.492 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 26.0 ptt? -48.56 143.69 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.41 ' HB3' ' N ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' ASP . 62.7 p -87.19 140.03 29.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -34.44 -61.88 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -44.35 -44.72 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' THR . 6.2 mmpt? -70.97 -37.57 72.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.26 -54.11 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -59.75 -41.41 90.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -72.84 -31.26 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.3 ttm-85 -69.35 -40.05 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -108.15 14.13 25.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.36 -18.41 64.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -73.79 -29.39 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.6 mt -52.37 151.71 7.08 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -49.3 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' C ' HD12 ' A' ' 108' ' ' ILE . . . -66.27 -177.47 7.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -107.93 124.76 50.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.29 130.1 43.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -131.11 100.84 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mt -93.15 120.54 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.413 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 33.5 pt -133.57 143.02 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -97.88 113.1 24.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 mt -113.86 120.26 40.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -78.64 124.95 28.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -51.42 112.81 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' ASN . 20.7 t70 -71.25 175.69 5.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 24.0 tptp -34.35 -34.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' ASP . 8.9 t-20 -105.72 -31.01 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.429 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 122.71 -157.09 17.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.8 mt -84.17 95.75 8.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.361 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.6 106.34 2.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' CD2' HG12 ' A' ' 58' ' ' ILE . 28.5 mt -146.75 135.46 22.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.5 m -87.29 125.59 34.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.9 mt -112.53 147.64 36.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.75 133.83 15.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.92 155.73 41.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' LYS . 34.2 t-20 -63.1 142.13 58.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' ASN . 29.7 mttp -34.23 -51.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -86.61 108.28 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -44.24 -53.34 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 m -40.09 -34.29 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -89.58 102.97 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.1 tpp -84.08 104.23 13.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -147.3 148.66 31.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.7 mt -110.85 121.3 63.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 79.1 m-85 -117.77 173.26 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.432 HG22 ' CE ' ' A' ' 70' ' ' MET . 87.6 t -115.06 87.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.0 m -87.06 24.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.07 144.73 4.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.432 HG12 ' CD2' ' A' ' 40' ' ' LEU . 91.2 mt -132.41 110.38 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . 0.43 ' OD1' ' CG ' ' A' ' 61' ' ' GLU . 4.2 t-20 -47.8 121.77 8.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -27.54 26.05 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.43 ' CG ' ' OD1' ' A' ' 59' ' ' ASN . 11.9 pt-20 -91.18 -10.87 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.39 -178.7 52.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.429 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 54.0 Cg_endo -69.72 -46.3 1.29 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.46 -43.11 11.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.83 -50.67 40.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.62 -51.29 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -57.99 -44.75 87.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.52 42.63 21.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' ' NH2' ' A' ' 109' ' ' ARG . 3.4 mmp_? -121.49 -50.23 2.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.532 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 18.5 mtp -67.13 137.46 56.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -128.13 172.88 10.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.8 mm -77.16 119.16 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.79 -19.28 6.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.481 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.483 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 66.2 m-20 -58.68 136.95 57.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 29.8 tt0 -108.48 95.74 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -46.49 140.53 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -123.76 -41.49 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -143.8 152.91 41.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.6 mt -153.55 121.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 58.91 33.11 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 73.54 39.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -139.86 114.52 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.3 mt -70.83 126.81 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mt -98.59 -24.86 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -42.93 105.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.02 24.13 7.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -137.73 168.22 20.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.765 0.317 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.5 p -79.54 147.43 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -57.09 -33.22 67.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -59.92 -36.46 77.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -65.83 -46.72 77.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.88 -60.21 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.7 t -47.73 -43.62 27.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.31 72.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 71.2 mt -54.72 -40.95 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 58.1 mt -64.13 -47.37 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -50.34 -44.1 54.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.0 p -75.68 -24.97 56.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.49 151.75 96.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.711 . . . . 0.0 111.058 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.9 Cg_endo -69.76 168.33 21.89 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' PRO . 8.2 m -38.05 -62.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.59 118.12 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.57 141.85 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -98.75 109.95 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 mt -97.59 138.87 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 67.0 t -127.76 104.23 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.532 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 46.8 p90 -129.81 173.12 10.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 24' ' ' GLY . 10.2 tt -117.17 144.25 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 69' ' ' ARG . 26.2 ttm180 -99.84 83.13 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -105.35 107.94 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.03 -16.77 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -89.52 -14.2 35.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -67.21 -46.0 75.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 27.1 m -42.77 -28.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -83.27 -35.37 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 113' ' ' ALA . 68.4 mt-30 -72.88 -47.45 45.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.511 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.63 120.14 6.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.91 0.386 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 12' ' ' ASP . 27.5 p -75.44 135.33 40.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 11' ' ' THR . 1.1 m-20 -34.73 -40.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.53 -51.48 67.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' THR . 15.4 mmtp -70.04 -21.02 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.9 mt -77.93 -53.94 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 11.9 ptm180 -58.78 -35.69 73.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -75.7 -35.18 60.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.476 ' HG2' ' CD2' ' A' ' 19' ' ' TYR . 2.9 ttp-105 -68.9 -43.22 75.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 18' ' ' ARG . 86.7 m-85 -103.56 16.72 25.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 16' ' ' ARG . . . -68.76 -23.16 64.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -72.1 -24.21 61.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.2 mt -55.49 151.21 21.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.734 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.722 2.281 . . . . 0.0 112.298 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.03 -169.54 3.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.402 ' C ' HG13 ' A' ' 108' ' ' ILE . 6.1 tt0 -113.94 126.97 55.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 tp -69.21 134.51 49.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -136.04 107.7 7.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.2 mt -98.76 120.55 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.446 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 35.7 pt -137.96 141.37 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -92.37 115.24 27.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 105' ' ' LEU . 25.6 mt -108.68 119.08 38.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -83.21 111.36 18.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -39.46 120.12 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 36' ' ' ASN . 14.2 t0 -84.69 -175.79 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' ASP . 7.0 ptmm? -35.59 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' ASP . 39.6 m-20 -116.55 -13.82 10.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 98.85 -166.53 21.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.14 105.33 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.4 117.01 5.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -150.35 136.74 18.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.8 m -85.59 107.35 17.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.441 HD22 ' CG2' ' A' ' 53' ' ' ILE . 25.3 mt -96.84 146.6 24.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 118' ' ' ALA . . . -149.8 114.54 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.6 148.82 3.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -47.09 145.19 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -46.42 -49.52 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.63 114.62 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -50.71 -50.16 55.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' ARG . 2.0 m -36.93 -37.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -87.87 151.53 22.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.63 119.16 22.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -170.22 167.03 8.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.897 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.441 ' CG2' HD22 ' A' ' 42' ' ' LEU . 47.7 mt -116.17 133.02 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.549 ' CD1' ' HB2' ' A' ' 75' ' ' GLU . 75.3 m-85 -129.36 168.89 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.7 t -115.64 90.04 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -88.01 20.52 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.66 152.42 8.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -134.56 98.86 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -40.11 122.51 1.63 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -8.01 22.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -102.79 -14.94 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.06 176.86 50.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -41.83 3.88 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.4 -35.07 17.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.73 -33.35 46.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.92 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -66.96 -50.7 61.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.61 -22.03 35.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -41.65 96.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 107' ' ' PHE . 6.0 mtp -72.61 137.02 45.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -134.13 174.81 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.7 mm -75.01 121.1 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.25 -17.59 8.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.494 ' OD2' ' CE1' ' A' ' 107' ' ' PHE . 98.9 m-20 -58.48 125.1 21.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.549 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 47.1 tt0 -101.1 101.33 12.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.7 mt -49.77 144.61 6.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.5 mt -123.7 -41.78 2.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.412 ' C ' HG13 ' A' ' 79' ' ' ILE . 64.4 mt-10 -147.14 156.38 42.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 78' ' ' GLU . 85.8 mt -152.85 136.31 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 40.85 35.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 73.55 48.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -145.63 109.08 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.9 mt -68.1 124.81 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.547 ' CD2' ' CD1' ' A' ' 95' ' ' ILE . 11.2 mt -98.3 -22.23 16.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -46.73 97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 114.51 23.3 4.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -137.71 179.94 6.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.319 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -91.94 155.29 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.519 ' CE1' ' HG2' ' A' ' 90' ' ' GLN . 27.9 p80 -60.71 -34.46 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLN . . . . . 0.519 ' HG2' ' CE1' ' A' ' 89' ' ' HIS . 14.0 mm100 -56.21 -32.14 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -68.23 -46.86 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.76 -69.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.7 p -39.4 -44.72 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.92 -46.02 85.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ILE . . . . . 0.547 ' CD1' ' CD2' ' A' ' 84' ' ' LEU . 53.2 mt -58.1 -42.53 83.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.82 -46.51 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -52.01 -43.77 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.2 p -72.96 -24.8 60.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.22 153.77 92.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 111.101 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -168.81 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.1 p -54.52 -59.78 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -83.18 106.16 14.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.9 t -112.47 128.75 68.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -79.64 124.42 28.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 31' ' ' LEU . 11.6 mt -117.47 117.87 30.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.0 t -112.0 106.89 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.494 ' CE1' ' OD2' ' A' ' 74' ' ' ASP . 41.6 p90 -130.7 177.89 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 25' ' ' GLU . 8.0 tt -128.75 122.15 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -86.38 111.27 20.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -127.07 161.34 28.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -89.57 -22.39 22.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -83.67 -23.91 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.66 -32.23 63.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.5 m -68.28 -25.65 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -95.34 -12.89 25.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -94.22 -62.29 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.513 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 23.1 ptt? -47.26 138.6 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 m 49.3 41.72 20.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.378 . . . . 0.0 110.868 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 p -139.53 131.46 27.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.31 -120.73 2.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -73.36 104.17 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 m -87.46 151.72 22.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.74 85.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.16 40.2 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.86 -7.32 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -105.21 13.29 30.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 p -74.36 139.12 43.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.96 -57.51 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -46.59 -41.16 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -75.85 -34.19 60.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.9 mt -65.58 -49.48 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -64.31 -39.52 94.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -74.69 -29.53 61.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -70.13 -39.26 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -107.06 12.35 28.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.7 -19.88 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.48 -29.73 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 28.4 mt -55.56 151.26 21.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.22 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.368 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.79 -166.95 0.32 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -121.59 122.06 38.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.5 tp -56.52 129.28 40.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -128.27 100.18 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.7 mt -95.56 110.38 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.43 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 38.3 pt -129.36 138.48 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -94.85 119.47 33.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.426 HD12 ' CD1' ' A' ' 105' ' ' LEU . 57.2 mt -117.79 120.21 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -75.51 113.54 13.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -41.37 128.86 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 36' ' ' ASN . 20.4 t70 -87.9 175.84 7.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 34' ' ' ASP . 48.3 mtmt -34.24 -34.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' ASP . 3.7 t30 -106.52 -27.96 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 112.76 -167.32 12.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.0 mt -69.27 86.14 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.01 98.37 1.71 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.448 HD22 ' CB ' ' A' ' 64' ' ' ALA . 9.3 mt -136.96 136.77 38.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -83.07 114.75 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.3 mt -103.5 151.18 23.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.5 136.83 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.0 168.96 28.06 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' LYS . 23.4 t-20 -71.99 145.99 47.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' ASN . 46.4 mttm -35.05 -51.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -92.9 117.35 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -46.04 -52.16 12.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.9 m -42.28 -35.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -89.43 113.18 24.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.4 mmm -92.83 127.63 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -175.02 129.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.5 mt -92.56 114.02 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.523 ' CD2' ' HA ' ' A' ' 117' ' ' MET . 62.9 m-85 -108.47 163.28 13.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.9 t -105.75 96.89 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.0 m -95.18 19.57 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.4 150.02 7.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 59' ' ' ASN . 93.8 mt -133.63 95.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 58' ' ' ILE . 41.3 t30 -37.71 120.64 0.95 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.649 0.738 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -5.75 16.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -104.62 -14.9 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.2 -178.32 52.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.437 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.4 Cg_endo -69.79 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.328 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.448 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -43.84 -34.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.25 -44.09 39.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.88 76.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -58.59 -44.69 89.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.97 33.28 41.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -110.53 -51.38 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.455 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 13.4 mtp -65.92 144.98 56.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -136.35 175.83 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.2 mm -78.12 124.55 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.454 ' HA2' ' CE ' ' A' ' 117' ' ' MET . . . 122.51 -17.87 8.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.556 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 72.9 m-20 -59.63 141.27 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HB3' ' CG2' ' A' ' 108' ' ' ILE . 39.3 tt0 -113.36 95.32 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 79.0 mt -48.59 139.44 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.2 mt -123.45 -40.74 2.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -147.58 151.75 36.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 24.0 mt -149.95 117.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.081 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 60.41 44.36 12.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 63.58 44.05 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -145.48 111.76 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.7 mt -68.81 130.6 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.482 ' CD2' ' CD1' ' A' ' 95' ' ' ILE . 9.3 mt -102.01 -23.61 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -42.86 109.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.96 -39.03 2.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -74.82 165.91 24.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.8 m -83.81 141.14 31.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.546 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 21.2 p80 -39.92 -42.02 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.546 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 38.3 mt-30 -49.16 -44.68 42.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -57.93 -53.49 57.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -39.29 -60.45 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.066 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.0 p -48.42 -45.78 36.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.58 74.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.482 ' CD1' ' CD2' ' A' ' 84' ' ' LEU . 40.2 mt -56.44 -44.16 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.48 -43.93 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -53.14 -44.82 68.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.1 p -75.84 -24.8 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.43 150.34 97.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.8 Cg_endo -69.72 170.5 16.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' PRO . 1.1 t -36.98 -59.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -80.16 126.25 30.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.78 129.32 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -87.16 113.93 23.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.426 ' CD1' HD12 ' A' ' 31' ' ' LEU . 6.0 mt -100.5 123.2 44.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 88.5 t -115.26 101.0 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.556 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 17.8 p90 -126.54 -178.18 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.448 ' CG2' ' HB3' ' A' ' 75' ' ' GLU . 7.2 tt -124.91 145.38 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 -106.41 112.07 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -133.98 122.87 23.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -10.45 21.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.82 -19.11 19.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -50.37 -51.64 44.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.462 HG21 ' N ' ' A' ' 115' ' ' ASN . 29.0 m -47.3 -30.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.462 ' N ' HG21 ' A' ' 114' ' ' VAL . 74.6 m-20 -81.52 -26.59 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' ALA . 61.0 mt-30 -81.65 -54.01 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.523 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -42.68 165.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -92.89 -28.76 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.9 t 56.06 53.94 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.862 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.99 81.67 0.12 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -22.12 32.45 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.244 . . . . 0.0 112.375 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.5 m 50.34 52.11 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 90.9 p -80.83 -46.21 15.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -39.65 149.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -126.9 128.14 46.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.5 122.48 2.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -73.27 115.7 12.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -104.87 156.37 18.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.13 -20.68 48.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.95 39.53 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.63 -10.8 44.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.059 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -97.82 13.27 31.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' LYS . 40.4 p -73.65 141.65 46.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.26 -55.37 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -50.88 -36.43 37.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' THR . 53.2 mmtt -76.82 -37.69 55.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.9 mt -65.22 -53.15 43.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -59.4 -31.76 69.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -83.49 -29.29 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -71.24 -41.39 70.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.433 ' CG ' HD11 ' A' ' 77' ' ' LEU . 83.0 m-85 -103.21 13.07 34.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.2 -25.31 68.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.04 -24.51 64.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.453 ' CB ' HD13 ' A' ' 108' ' ' ILE . 21.5 mt -56.25 152.55 22.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.63 0.728 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.44 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -68.47 -167.54 4.51 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -115.16 127.68 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.6 tp -64.34 128.72 37.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -132.94 105.59 7.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.1 mt -98.11 117.01 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.451 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 47.7 pt -131.88 137.51 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -94.19 120.96 35.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.461 HD13 ' CD1' ' A' ' 105' ' ' LEU . 35.6 mt -120.32 119.75 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -75.67 116.75 16.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -44.09 122.41 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' GLY . 24.7 t0 -78.19 176.06 9.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 24.7 ttpt -34.39 -37.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' ASP . 34.7 m120 -103.18 -25.73 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 107.73 170.68 21.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.2 mt -42.67 112.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.36 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.49 103.38 2.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 HD21 ' CB ' ' A' ' 64' ' ' ALA . 6.7 mt -146.72 135.53 22.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.3 m -87.36 115.58 24.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 mt -100.81 152.22 20.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -153.9 139.04 17.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.35 158.69 48.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 38.1 t-20 -60.86 146.27 47.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 38.3 mttm -34.46 -48.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -91.58 106.21 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.4 tpt180 -43.53 -53.49 5.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ARG . 32.7 t -35.27 -39.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -80.66 138.4 36.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.0 tpp -108.69 102.83 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -151.46 149.14 28.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.794 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.9 mt -113.15 135.34 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.513 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 76.6 m-85 -132.09 178.81 6.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.0 t -118.39 88.34 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 119' ' ' SER . 13.9 m -87.17 22.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.83 150.22 7.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ASN . 83.8 mt -131.99 93.92 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.114 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' ILE . 37.7 t30 -34.92 118.83 0.57 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -6.25 18.11 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.384 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -108.71 -8.9 15.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.09 177.28 49.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -38.78 7.19 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.433 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -53.64 -36.67 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.02 -40.81 62.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.81 -54.47 46.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.61 -42.18 64.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.97 41.57 40.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -121.76 -52.01 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.563 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 7.9 mtp -60.77 137.56 58.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -123.73 174.26 7.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.0 mm -79.7 128.21 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.04 -27.8 7.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.51 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 67.1 m-20 -46.67 140.62 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 25.0 tt0 -110.93 101.61 10.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 94.5 mt -52.18 135.39 32.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.433 HD11 ' CG ' ' A' ' 19' ' ' TYR . 16.7 mt -117.39 -45.36 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -141.97 152.86 43.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 50.6 mt -153.67 134.83 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.403 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 18.6 t-20 45.16 37.43 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 m120 67.96 46.66 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -147.41 106.5 3.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.7 mt -65.14 124.95 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' TYR . 11.5 mt -92.4 -33.03 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LEU . 54.7 t80 -35.79 98.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.99 14.37 7.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -129.88 172.7 11.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -89.16 149.01 23.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -53.22 -28.35 26.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -64.38 -37.03 86.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -69.58 -43.52 72.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.97 -59.26 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.5 p -52.9 -41.24 64.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.8 -43.57 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.418 HD12 ' CD2' ' A' ' 84' ' ' LEU . 61.5 mt -62.32 -42.17 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 71.6 mt -63.94 -44.43 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -53.91 -42.92 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.3 p -74.89 -24.73 58.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.38 151.8 95.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.097 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.403 ' HD2' ' ND2' ' A' ' 80' ' ' ASN . 54.3 Cg_endo -69.74 172.44 12.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.36 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -40.32 -65.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -73.67 115.33 12.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 36.2 t -125.17 143.95 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 50.1 tttt -101.86 118.0 36.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' A' ' 31' ' ' LEU . 4.4 mt -106.35 130.28 54.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.2 t -119.81 99.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.563 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 35.5 p90 -128.34 168.71 15.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.453 HD13 ' CB ' ' A' ' 22' ' ' LEU . 5.5 tt -116.73 131.47 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -87.55 85.72 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -103.99 123.96 48.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -59.63 -40.86 88.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.77 -22.04 66.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -49.74 -56.33 10.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 34.6 m -43.12 -37.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -70.87 -32.57 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' ALA . 93.0 mm-40 -75.2 -65.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.513 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -42.1 128.33 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.99 -45.89 64.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.471 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 3.3 t 74.64 38.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -154.09 84.85 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 126.71 13.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 m -74.18 157.95 35.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.2 t -172.54 138.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.3 t -114.02 168.51 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 24.8 p -37.3 154.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.87 -135.9 9.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -144.73 132.57 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -69.26 78.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.21 66.06 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.68 21.51 5.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.335 . . . . 0.0 110.835 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.96 -2.07 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -106.67 23.41 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.5 p -83.91 144.29 29.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -64.21 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -41.79 -40.43 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -74.45 -36.52 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.39 -49.11 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.2 ptt180 -64.08 -41.32 97.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -73.44 -27.5 61.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -73.02 -39.52 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -105.58 13.15 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.68 -21.13 66.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.62 -27.11 61.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.1 mt -54.18 152.03 11.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -49.83 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.315 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -69.17 -177.82 17.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -104.66 132.95 50.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 tp -67.5 131.36 45.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -132.81 95.21 3.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 37.6 mt -91.59 109.07 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 29.5 pt -123.77 139.38 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -91.36 120.6 32.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 HD13 ' CD1' ' A' ' 105' ' ' LEU . 58.4 mt -117.5 131.69 56.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.43 120.64 33.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 mtmt -48.33 113.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -71.59 179.17 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -42.22 -28.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 1.7 t-20 -111.88 -14.87 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 97.32 169.31 33.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -48.41 121.35 4.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.6 113.21 3.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.6 mt -148.83 138.94 22.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.809 0.337 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -88.47 101.81 14.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 mt -89.73 153.86 20.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.93 122.69 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -56.72 138.31 47.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.523 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' GLY . 28.8 t-20 -34.87 149.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 61.2 mttm -46.74 -42.51 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.54 121.87 30.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -56.5 -48.33 77.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.1 m -48.17 -28.78 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 -73.4 155.09 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 tpt -135.0 93.28 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.6 162.41 32.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.0 mt -113.09 133.86 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 67.1 m-85 -132.08 163.24 28.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.2 t -109.25 106.47 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.432 ' CG1' ' O ' ' A' ' 118' ' ' ALA . 14.1 m -100.96 5.41 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.26 149.77 11.52 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.426 HG13 ' CD1' ' A' ' 72' ' ' ILE . 81.4 mt -132.43 103.63 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -44.65 121.45 4.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.601 0.715 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -11.44 30.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -100.45 -17.2 17.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.7 175.62 54.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -38.14 8.32 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -51.64 -32.59 29.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.42 -35.1 58.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.05 93.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -62.76 -52.47 63.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.26 -15.65 57.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -40.51 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.541 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 5.5 mtp -72.03 136.36 46.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -132.93 171.04 14.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.426 ' CD1' HG13 ' A' ' 58' ' ' ILE . 5.9 mm -74.42 120.2 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.7 -16.54 6.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.549 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.3 m-20 -54.12 153.66 4.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.75 0.309 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -126.0 95.5 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.8 mt -51.05 128.21 21.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 12.2 mt -109.03 -44.12 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -146.61 154.73 41.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 80' ' ' ASN . 89.1 mt -150.86 143.07 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.443 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 15.7 t-20 35.1 50.03 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m120 58.04 54.27 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -156.9 105.24 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.87 129.18 28.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 85' ' ' TYR . 9.1 mt -97.43 -30.67 12.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' LEU . 48.2 t80 -36.12 100.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.98 26.55 4.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -135.83 -176.19 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -101.71 142.93 32.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -50.01 -27.03 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -61.91 -33.18 73.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -68.8 -54.37 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -37.94 -57.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.4 t -51.77 -42.14 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.42 94.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.416 HD11 ' CD2' ' A' ' 84' ' ' LEU . 92.7 mt -59.73 -42.69 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 66.5 mt -64.57 -45.41 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.16 -44.81 68.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.9 p -73.86 -26.49 60.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.21 153.57 94.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.443 ' HD2' ' ND2' ' A' ' 80' ' ' ASN . 54.2 Cg_endo -69.79 171.49 14.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 m -40.66 -59.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -81.63 113.43 19.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.3 t -122.32 148.76 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -103.25 130.78 50.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 31' ' ' LEU . 9.8 mt -120.58 120.08 34.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.1 t -112.13 102.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 31.2 p90 -128.94 172.99 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.0 tt -120.47 134.76 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -92.7 83.39 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -102.18 113.8 27.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -52.61 -33.56 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -26.57 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -49.91 -53.64 24.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 27.4 m -41.9 -29.18 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -84.36 -43.09 15.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -68.1 -61.24 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.511 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 13.3 ptt? -46.64 152.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.432 ' O ' ' CG1' ' A' ' 56' ' ' VAL . . . -98.22 154.18 17.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -117.35 122.34 43.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 127.95 79.9 0.28 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 143.64 51.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.415 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.2 t -163.55 168.25 20.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 11.3 t -70.8 116.23 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -126.47 164.18 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 55.85 41.88 29.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.61 51.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -46.52 131.53 11.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -76.25 100.95 5.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.95 -26.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.5 30.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.761 0.315 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.82 -7.59 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -100.86 15.69 27.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' ASP . 23.8 p -81.36 138.29 35.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.8 t70 -37.5 -62.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' ASP . 15.6 pt20 -38.13 -40.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -79.8 -36.84 36.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.456 ' N ' ' O ' ' A' ' 12' ' ' ASP . 77.6 mt -62.98 -49.72 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.1 ptt85 -59.84 -43.62 94.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -73.57 -27.91 61.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -71.73 -42.77 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -104.49 17.97 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.56 -21.41 66.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -68.21 -31.81 71.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 33.8 mt -50.58 151.67 3.89 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.722 . . . . 0.0 110.893 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.254 . . . . 0.0 112.329 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.76 -157.06 0.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.531 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -127.98 130.27 48.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.1 tp -66.58 129.23 39.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -133.73 102.5 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.402 ' CG2' ' HE3' ' A' ' 104' ' ' LYS . 33.7 mt -94.9 111.05 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 29.3 pt -121.19 143.64 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -98.91 116.98 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 16.8 mt -118.39 123.01 44.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' LYS . 8.6 tt0 -83.37 111.14 18.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' GLU . 6.1 mtmp? -35.05 122.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.5 t70 -80.23 178.37 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.8 mtpt -36.49 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' ASP . 6.5 m-80 -108.81 -36.01 6.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.0 -171.99 18.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.6 mt -69.35 85.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 110.891 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.55 106.75 2.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.6 mt -144.78 133.88 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -83.31 115.19 21.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.62 144.17 33.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.94 118.99 6.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.27 160.14 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.1 t-20 -59.98 144.96 47.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 45' ' ' ASN . 44.8 mttm -37.0 -49.42 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -85.4 108.76 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 49' ' ' SER . 7.4 tpt180 -46.46 -53.01 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' ARG . 17.5 m -37.3 -38.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -80.95 143.68 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.7 tpt -117.56 95.09 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -148.73 145.49 27.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 45.0 mt -101.96 139.82 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.518 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 79.9 m-85 -136.4 176.27 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.456 ' CG2' ' HE3' ' A' ' 70' ' ' MET . 84.5 t -120.32 105.96 17.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 m -102.81 9.44 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.39 153.79 17.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.4 mt -134.68 97.62 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.352 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -43.48 122.2 3.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.714 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.49 18.75 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.731 2.287 . . . . 0.0 112.309 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -101.28 -15.65 17.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.36 179.55 52.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.538 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.38 -36.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.37 -39.94 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.13 -47.44 77.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -61.01 -41.37 96.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.85 41.83 27.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -117.08 -60.05 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.547 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 8.4 mtp -57.54 151.39 16.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -139.26 176.47 8.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.2 mm -81.64 118.6 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.59 -21.24 6.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -53.23 158.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.499 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 33.8 tt0 -130.29 98.27 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.1 mt -51.74 131.36 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.2 mt -113.08 -40.42 3.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -147.34 150.59 35.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 41.1 mt -149.83 131.36 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 49.3 38.59 14.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 67.58 49.93 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -150.89 105.27 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.3 mt -64.23 125.7 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' GLY . 11.9 mt -94.39 -26.06 16.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -40.14 94.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 114.69 30.1 2.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -140.7 174.45 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.6 p -92.49 141.8 28.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.461 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 22.3 p80 -48.03 -41.27 25.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.461 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 80.0 mt-30 -51.33 -36.93 45.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -68.71 -47.86 65.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.35 -55.12 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -52.46 -41.03 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.92 87.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 82.7 mt -58.66 -43.06 86.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 86.0 mt -63.79 -44.51 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -53.53 -43.77 68.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.1 p -75.07 -27.18 59.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.14 150.94 97.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.8 Cg_endo -69.74 168.6 21.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 100' ' ' PRO . 2.1 m -34.89 -59.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -82.64 119.05 23.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.0 t -127.03 133.5 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.402 ' HE3' ' CG2' ' A' ' 28' ' ' ILE . 14.1 tttp -87.29 119.96 28.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.6 mt -109.38 121.6 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.3 t -114.01 103.56 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.547 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 33.5 p90 -130.64 179.67 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.1 tt -123.56 133.56 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 tpp85 -90.91 89.43 7.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 112' ' ' ASP . 24.8 t-20 -115.47 107.41 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.447 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 14.3 pt-20 -51.31 -39.0 55.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 30.8 t0 -62.15 -28.37 69.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.46 -43.77 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 111' ' ' GLU . 35.0 m -41.92 -34.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -82.71 -41.79 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -61.37 -63.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.518 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 22.6 ptt? -48.9 145.89 3.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.18 171.09 14.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.1 p -119.26 118.98 32.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 132.46 85.58 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.41 3.56 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 2.274 . . . . 0.0 112.299 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 t -99.83 37.64 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.5 t -51.43 140.8 16.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.471 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -151.77 157.93 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 m -99.14 170.73 8.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.36 55.94 25.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 p -48.01 112.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.845 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -158.86 111.26 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.35 75.5 0.29 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.91 36.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.88 -5.46 58.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -106.57 16.63 24.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' ASP . 20.9 p -72.78 135.96 45.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -34.33 -49.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -52.11 -50.65 61.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -70.34 -30.65 67.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.408 HG21 ' CD1' ' A' ' 28' ' ' ILE . 73.0 mt -65.13 -47.27 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 6.5 ptm180 -68.37 -36.62 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -76.63 -28.52 56.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -68.87 -45.0 72.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -103.53 16.91 25.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.99 -18.17 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -73.25 -27.77 61.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 30.3 mt -56.29 151.62 26.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.553 0.692 . . . . 0.0 110.937 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -49.65 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.466 ' N ' HD12 ' A' ' 108' ' ' ILE . . . -65.87 -173.64 4.81 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -108.27 119.27 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 5.1 tp -60.63 128.43 36.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -127.01 109.71 12.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.408 ' CD1' HG21 ' A' ' 15' ' ' ILE . 70.6 mt -99.31 99.6 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.443 HD11 ' CB ' ' A' ' 69' ' ' ARG . 23.5 pt -116.11 138.88 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -100.56 118.01 35.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 33.3 mt -114.75 125.91 54.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -81.75 110.29 16.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.468 ' HD3' ' CG2' ' A' ' 96' ' ' ILE . 16.2 mtmm -45.66 129.36 8.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 35' ' ' LYS . 23.4 t0 -89.78 175.75 7.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -34.23 -40.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -93.01 -40.98 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.09 178.41 15.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 ' CD1' HD21 ' A' ' 105' ' ' LEU . 28.7 mt -43.29 -49.54 6.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.57 86.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.3 mt -135.97 139.45 43.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.407 ' HB2' ' CA ' ' A' ' 57' ' ' GLY . 52.0 m -84.23 116.22 22.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.2 mt -106.88 153.55 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.88 112.18 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -44.0 133.61 6.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.5 t-20 -34.45 137.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 45' ' ' ASN . 11.6 mtpp -33.68 -52.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.419 ' HB3' ' CG ' ' A' ' 50' ' ' ARG . 7.7 t0 -75.68 127.07 32.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -59.47 -45.42 91.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -64.04 -16.66 62.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' CG ' ' HB3' ' A' ' 47' ' ' ASP . 8.3 mmt180 -86.15 97.17 10.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.2 tpp -78.73 100.06 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 p -166.43 151.63 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.453 ' CD1' ' HA ' ' A' ' 89' ' ' HIS . 66.3 mt -109.92 135.26 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 66.9 m-85 -125.87 165.6 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 73' ' ' GLY . 87.5 t -105.17 104.86 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 m -104.42 20.62 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.407 ' CA ' ' HB2' ' A' ' 41' ' ' SER . . . 170.27 151.99 7.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -135.66 110.54 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -46.72 122.26 7.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.723 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.5 18.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.384 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -104.95 -21.58 13.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.45 175.7 52.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.443 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -35.94 11.86 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -52.64 -30.54 32.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.49 -35.7 19.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.52 -53.32 36.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -55.73 -34.76 65.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.85 42.24 79.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' CB ' HD11 ' A' ' 29' ' ' ILE . 2.9 mmp_? -117.81 -58.18 2.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 7.2 mtp -61.71 149.2 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -138.93 174.99 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.437 ' N ' HD13 ' A' ' 72' ' ' ILE . 5.1 mm -81.12 120.64 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . 125.01 -19.83 6.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.447 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.56 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 69.3 m-20 -59.45 130.68 48.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.777 0.322 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.566 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 43.1 tt0 -98.37 92.65 5.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 75.9 mt -44.1 136.36 3.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 19.7 mt -119.38 -34.84 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -151.86 153.32 33.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.3 mt -152.08 129.63 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 49.59 32.52 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 74.81 44.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -144.06 105.4 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 39.1 mt -64.44 123.79 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 86' ' ' GLY . 14.9 mt -93.87 -26.83 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -41.95 94.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 119.45 13.42 6.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.2 mtt-85 -131.44 162.07 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.906 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.9 t -80.51 154.4 27.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.453 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 27.4 p80 -54.42 -42.22 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -49.41 -41.89 40.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -63.24 -48.3 78.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.97 -58.4 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.068 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.4 p -47.05 -47.03 22.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.69 -45.88 63.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 56.7 mt -57.35 -45.94 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.468 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 95.4 mt -61.54 -47.02 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -52.63 -36.61 56.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.1 p -87.9 -23.08 24.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.04 148.97 96.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.544 0.688 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 178.47 4.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 m -50.19 -63.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -73.69 107.99 6.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.3 t -123.47 144.56 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.429 ' HD3' ' CG2' ' A' ' 106' ' ' VAL . 5.4 ttmt -98.46 120.56 39.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.458 HD21 ' CD1' ' A' ' 38' ' ' LEU . 10.3 mt -106.48 99.86 9.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.429 ' CG2' ' HD3' ' A' ' 104' ' ' LYS . 60.5 t -92.14 108.47 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.56 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 53.1 p90 -135.33 -176.3 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.466 HD12 ' N ' ' A' ' 24' ' ' GLY . 5.9 tt -122.79 135.8 61.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 -95.45 111.58 23.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 111' ' ' GLU . 55.8 t-20 -145.31 147.79 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.478 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 9.9 pt-20 -84.0 -29.89 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.08 -22.58 59.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.0 65.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.414 ' HA ' ' CG ' ' A' ' 117' ' ' MET . 31.0 m -51.49 -22.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -88.33 -23.13 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -91.48 -30.16 16.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.519 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -75.87 141.67 42.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.61 -175.0 2.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.3 p -145.1 114.35 7.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 130.55 84.77 0.34 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.8 3.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.4 t -103.88 87.28 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 96.7 p -66.83 -46.82 73.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -52.9 -56.31 16.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -87.0 132.61 33.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.76 77.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -70.82 98.09 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.372 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -71.94 -45.25 61.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.68 84.85 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.43 21.14 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.98 1.23 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -109.83 18.6 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 p -75.64 144.42 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.189 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.44 -57.15 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -45.63 -35.33 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -81.01 -36.13 31.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.7 mt -64.18 -45.77 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -67.54 -42.32 82.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -71.4 -31.18 66.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -70.03 -41.54 74.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -104.17 14.82 29.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.9 -20.88 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.82 -32.63 69.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.5 mt -50.84 149.55 6.12 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.891 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.425 ' HG2' ' ND2' ' A' ' 110' ' ' ASN . 53.6 Cg_endo -69.74 -49.92 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.39 -162.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -121.9 125.0 45.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.2 tp -62.33 125.99 25.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -128.08 101.88 6.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 53.4 mt -97.04 110.29 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.466 ' HB ' ' CZ ' ' A' ' 69' ' ' ARG . 11.5 pt -130.27 148.25 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.9 mp0 -104.07 146.19 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 105' ' ' LEU . 23.0 mt -141.62 120.97 13.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -73.13 111.37 8.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -40.23 123.61 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.3 t0 -80.75 178.57 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -37.53 -28.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' ASP . 10.4 m120 -113.93 -20.2 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 105.95 -166.78 14.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.5 mt -68.98 107.98 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.92 108.35 3.66 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.421 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.455 ' CD2' HG12 ' A' ' 58' ' ' ILE . 15.7 mt -148.11 137.34 22.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -88.0 108.56 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 mt -96.16 152.72 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.85 127.15 9.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.52 159.98 3.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -65.34 135.39 55.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 116' ' ' GLN . 14.5 mtpp -39.56 -43.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -87.56 108.5 19.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' SER . 11.2 ttm-85 -47.61 -57.24 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' ARG . 17.6 m -36.44 -37.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -85.9 154.86 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.7 tpp -131.15 101.71 5.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -148.78 150.77 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 30.3 mt -111.8 127.78 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 70.8 m-85 -121.08 174.51 6.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 98.9 t -117.66 95.04 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 119' ' ' SER . 10.1 m -94.56 23.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.75 147.82 6.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.455 HG12 ' CD2' ' A' ' 40' ' ' LEU . 92.3 mt -131.54 101.26 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -44.02 122.11 3.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.99 36.92 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.692 2.261 . . . . 0.0 112.38 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -93.15 -23.93 18.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.99 179.57 49.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.414 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.8 Cg_endo -69.76 -47.51 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.414 ' CB ' HD23 ' A' ' 40' ' ' LEU . . . -42.21 -32.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.93 -36.18 23.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.2 -53.48 48.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -56.8 -39.92 75.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.59 41.66 28.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' CZ ' ' HB ' ' A' ' 29' ' ' ILE . 24.0 mtm180 -118.98 -63.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.573 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 3.7 mtp -50.43 140.42 13.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -131.29 171.31 13.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.2 mm -76.17 128.68 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.5 -23.66 10.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.486 ' OD1' ' CE1' ' A' ' 107' ' ' PHE . 46.2 m-20 -53.74 136.59 39.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' OE2' ' CE1' ' A' ' 54' ' ' PHE . 40.7 tt0 -107.88 103.11 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.2 mt -56.12 139.31 47.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 15.2 mt -122.58 -39.06 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -146.68 150.08 34.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 60.7 mt -149.96 113.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 64.75 46.01 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 62.16 43.88 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -144.81 117.84 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.19 126.84 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.7 mt -98.99 -24.92 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -40.81 99.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.26 31.33 3.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -144.39 154.17 42.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 t -70.97 139.78 50.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.549 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 20.0 p80 -41.06 -50.38 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.549 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 48.9 mt-30 -42.84 -42.15 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -58.42 -55.56 33.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -40.87 -59.61 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.0 t -47.79 -45.96 29.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.55 -50.15 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.6 mt -55.44 -39.91 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.23 -46.38 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -51.54 -45.39 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.0 p -77.5 -19.14 56.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.97 152.48 92.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.075 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 101' ' ' SER . 54.0 Cg_endo -69.78 166.7 26.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' PRO . 66.5 m -35.11 -57.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -82.06 122.04 27.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.1 t -129.14 128.84 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -84.92 120.92 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 31' ' ' LEU . 7.1 mt -107.97 123.59 48.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.3 t -115.02 102.82 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 23.6 p90 -130.14 171.11 13.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 11.9 tt -116.67 138.26 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -95.35 94.81 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.425 ' ND2' ' HG2' ' A' ' 23' ' ' PRO . 59.7 t-20 -119.75 123.56 44.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -65.38 -11.23 40.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -96.23 -18.68 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -70.43 -18.19 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 27.3 m -73.32 -15.54 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -104.51 -19.48 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.452 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 75.0 mt-30 -79.52 -33.32 42.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.46 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 22.9 ptt? -72.59 125.99 28.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.73 -38.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.41 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 8.5 t 61.9 40.93 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -154.49 83.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 91.79 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.7 m -95.91 147.73 23.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.2 m -60.66 175.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.537 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 p -67.97 140.78 56.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -46.81 -53.62 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.25 -49.54 2.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -107.73 115.34 29.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -123.53 127.55 48.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.04 78.84 0.3 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.91 18.15 8.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.766 0.317 . . . . 0.0 110.83 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.77 -10.37 52.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -102.5 -0.26 32.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' ASP . 33.1 p -60.49 135.26 57.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' ILE . 0.2 OUTLIER -34.85 -62.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -40.32 -47.8 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -68.67 -33.28 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' ASP . 93.8 mt -66.52 -52.02 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -61.95 -29.78 70.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.12 -33.34 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttm-85 -66.45 -45.89 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.48 ' CG ' HD12 ' A' ' 77' ' ' LEU . 85.0 m-85 -99.13 14.08 30.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.88 -7.36 33.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -86.6 -19.61 29.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.42 151.53 91.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.359 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.99 -169.81 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.22 132.34 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.0 tp -75.42 129.89 38.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -134.19 110.47 9.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.0 mt -100.59 111.53 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.441 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 18.4 pt -123.07 149.01 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -110.22 111.8 23.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 20.7 mt -109.1 129.26 55.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -83.8 112.58 20.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -39.16 132.17 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' GLY . 17.2 t70 -91.1 174.48 7.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 7.0 ttmm -34.25 -39.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -99.52 -27.64 13.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.474 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 124.19 -169.12 16.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' HA ' ' CG ' ' A' ' 63' ' ' PRO . 12.1 mt -55.93 -49.21 74.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.3 88.46 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' CD2' HG12 ' A' ' 58' ' ' ILE . 18.8 mt -142.5 136.55 29.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -83.6 128.59 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -120.33 146.84 45.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.95 120.41 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.21 158.44 3.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -56.61 147.36 22.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' CE ' ' O ' ' A' ' 115' ' ' ASN . 38.5 mttm -37.77 -44.87 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.7 111.63 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' ARG . 44.5 ttt180 -48.48 -54.83 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 48' ' ' ARG . 46.6 m -35.47 -33.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' ARG . 7.5 mtp85 -84.53 134.13 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.5 tpt -104.03 97.22 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 m -153.27 140.03 19.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.2 mt -108.85 134.21 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CD2' ' HB3' ' A' ' 117' ' ' MET . 91.0 m-85 -124.75 -176.83 3.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 61.2 t -124.24 94.48 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.3 m -97.66 23.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.19 144.51 5.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.413 HG12 ' CD2' ' A' ' 40' ' ' LEU . 97.2 mt -132.46 103.43 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.113 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -39.19 119.0 1.19 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -9.13 25.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -105.21 -8.24 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.23 179.81 46.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.514 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.474 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.5 Cg_endo -69.78 -44.97 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.89 -24.61 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.44 -29.82 21.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.2 43.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -31.18 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.02 32.92 85.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -107.81 -54.51 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.534 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 8.6 mtp -68.17 138.59 55.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -130.97 169.84 15.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 72' ' ' ILE . 4.6 mm -74.37 118.36 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.58 -11.27 6.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -65.03 147.44 53.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.73 102.33 9.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.7 mt -56.75 124.54 18.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.48 HD12 ' CG ' ' A' ' 19' ' ' TYR . 34.5 mt -108.34 -38.28 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -151.36 152.69 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.466 HD13 ' CD2' ' A' ' 105' ' ' LEU . 45.0 mt -150.5 136.75 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' ILE . 10.3 t-20 37.28 47.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.18 53.31 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -155.88 106.92 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.17 144.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.9 mt -128.46 9.07 6.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 53.7 t80 -77.82 9.35 3.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.43 21.86 1.07 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -131.93 165.14 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 t -81.71 148.14 29.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -53.33 -21.92 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -67.76 -30.0 69.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -78.63 -35.67 45.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.97 -58.17 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -51.03 -43.18 60.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.35 -49.74 73.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.6 mt -53.89 -42.6 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.94 -47.87 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -53.55 -44.47 69.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 46.0 p -78.26 -14.73 59.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.13 150.7 74.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 172.2 13.06 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.3 m -40.22 -67.44 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -73.8 111.43 8.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.7 t -118.87 132.02 69.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -90.77 121.04 32.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 79' ' ' ILE . 5.9 mt -113.18 127.33 56.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.9 t -116.06 101.28 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.534 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 37.7 p90 -126.51 174.53 8.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 4.6 tt -124.86 124.14 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -82.49 133.04 35.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -155.66 121.81 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 55.7 tt0 -63.52 -11.3 23.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.19 -21.06 18.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.67 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.5 m -53.23 -21.73 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.455 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 70.0 m-80 -101.16 -31.92 10.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -59.72 -46.44 89.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.491 ' HB3' ' CD2' ' A' ' 54' ' ' PHE . 4.6 ptt? -66.49 148.35 52.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.04 -39.36 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.7 t 63.1 41.54 8.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -165.98 83.78 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 153.21 68.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.331 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.4 t -48.96 157.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.1 m -95.3 137.4 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.436 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -153.59 129.92 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.886 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -141.52 171.17 14.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.35 126.39 0.89 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -162.94 144.8 10.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.339 . . . . 0.0 110.884 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m 55.1 43.8 28.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.06 -27.88 2.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -89.53 20.03 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.757 0.313 . . . . 0.0 110.873 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.96 0.3 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -107.38 17.29 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.3 p -82.76 146.22 29.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -43.44 -47.86 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -55.63 -38.29 69.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.46 -38.11 55.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.4 mt -61.78 -53.24 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -60.42 -46.58 89.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -66.8 -32.52 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HD3' ' CE2' ' A' ' 19' ' ' TYR . 8.7 ttt85 -66.61 -49.02 67.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.483 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 84.7 m-85 -100.06 13.67 33.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -14.37 55.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.24 -26.77 42.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.82 151.7 14.93 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.571 0.7 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -49.68 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.32 -176.56 4.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.455 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -107.89 124.4 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 tp -62.23 131.81 50.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -134.28 107.35 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 36.1 mt -100.29 109.29 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 30.7 pt -120.52 142.48 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -95.66 114.57 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 105' ' ' LEU . 76.0 mt -109.41 135.79 49.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -94.96 124.68 39.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 mtmt -57.17 111.11 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LYS . 71.0 m-20 -74.32 -178.91 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' ASP . 39.4 tttt -36.94 -38.27 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -104.39 -21.6 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.96 -154.65 16.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.452 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.7 mt -82.35 105.41 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.12 101.2 2.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' CD2' HG12 ' A' ' 58' ' ' ILE . 10.1 mt -143.23 136.74 28.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.9 m -94.57 113.59 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -95.39 158.33 15.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.37 122.05 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.3 147.23 17.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 37.9 t-20 -50.02 147.43 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.493 ' CE ' ' O ' ' A' ' 115' ' ' ASN . 33.9 mttm -35.88 -45.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -96.96 117.17 30.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -51.07 -51.09 56.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.2 t -43.92 -24.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -91.81 97.87 11.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.3 tpt -75.19 96.24 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -154.16 149.23 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.5 mt -102.07 145.35 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 59.4 m-85 -145.24 155.74 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 93.2 t -101.23 106.04 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.5 m -101.23 9.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.71 146.41 7.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 70' ' ' MET . 98.3 mt -135.71 109.52 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -48.0 119.98 7.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -9.34 25.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -106.23 -7.91 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.86 176.54 45.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.429 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -37.29 9.48 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.399 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.4 -28.71 60.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.4 -37.85 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.68 -59.42 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -48.95 -37.92 21.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.53 45.19 60.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.412 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 3.9 mmp_? -124.94 -35.95 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 0.0 110.89 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.572 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 9.3 mtp -86.42 121.99 29.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.498 ' CD ' ' N ' ' A' ' 71' ' ' ARG . 1.3 mpt_? -108.69 -174.96 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.6 mm -87.52 122.85 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.17 -25.26 6.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -49.01 145.19 4.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.771 0.319 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 33.3 tt0 -114.93 100.78 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 90.0 mt -53.41 128.66 29.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 13.8 mt -109.94 -41.17 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -140.63 153.55 46.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.0 mt -152.72 116.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 56.39 50.26 13.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 59.95 50.38 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -154.54 111.25 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.5 mt -71.56 123.77 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.459 ' O ' ' N ' ' A' ' 86' ' ' GLY . 11.7 mt -93.16 -22.15 19.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -42.92 92.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 115.6 26.51 3.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -134.97 176.0 9.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.841 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 99.0 p -88.52 137.83 31.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -48.86 -37.13 18.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -55.94 -36.57 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -65.91 -51.59 57.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.24 -55.15 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.1 m -54.19 -37.45 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.6 83.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.402 HD12 ' CD2' ' A' ' 84' ' ' LEU . 98.5 mt -56.46 -38.69 57.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 96.4 mt -65.95 -46.79 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -52.73 -44.84 66.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.5 p -73.12 -26.44 61.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.61 154.04 93.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.593 0.711 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.7 Cg_endo -69.76 170.49 16.45 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 100' ' ' PRO . 24.0 m -38.34 -64.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.46 117.36 19.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 18.5 t -124.83 136.96 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 48.4 tttt -93.6 119.12 32.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.435 ' CD1' HD13 ' A' ' 31' ' ' LEU . 7.0 mt -110.0 124.23 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.4 t -111.65 101.27 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.572 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 21.9 p90 -125.78 176.12 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.1 tt -114.46 152.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.4 ttt-85 -109.34 102.42 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -135.41 109.81 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -60.46 -15.76 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 88.0 m-20 -83.75 -30.66 26.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.409 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . . . -48.9 -36.43 17.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.077 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 25.4 m -41.83 -29.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 116' ' ' GLN . 5.0 p30 -88.22 -38.46 15.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.499 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 37.9 mt-30 -65.81 -35.66 81.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.446 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -76.51 140.53 41.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.19 -177.07 5.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.2 p -134.98 95.5 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 158.3 91.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.7 3.3 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.5 m -127.28 142.45 51.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.0 m -144.04 152.33 40.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -99.69 106.93 18.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -41.11 -46.22 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.97 -150.15 0.49 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -134.07 170.29 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -46.21 152.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.44 -24.92 0.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -84.34 37.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.61 3.64 55.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -118.23 10.34 12.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LYS . 80.6 p -76.84 143.02 40.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.89 -42.66 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -58.04 -38.73 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 11' ' ' THR . 56.4 mmtt -81.23 -32.71 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.3 mt -66.66 -45.8 87.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 32.5 ptt180 -65.83 -41.46 91.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -72.95 -33.91 66.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -69.07 -40.83 78.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.483 ' CG ' HD11 ' A' ' 77' ' ' LEU . 73.8 m-85 -104.9 14.12 30.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 16' ' ' ARG . . . -67.71 -18.03 64.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -73.05 -29.7 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.439 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 24.2 mt -54.69 151.67 14.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.65 0.738 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.6 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.331 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.15 -179.75 6.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -105.76 124.55 49.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.9 tp -59.08 133.29 55.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -132.66 102.63 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.439 ' CG2' ' HE2' ' A' ' 104' ' ' LYS . 39.4 mt -97.96 110.91 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.445 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 20.7 pt -129.76 138.02 55.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -94.55 115.03 27.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.454 HD13 ' CD1' ' A' ' 105' ' ' LEU . 48.1 mt -111.87 126.62 55.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -81.66 120.36 24.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -46.15 110.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' ASN . 24.0 t70 -67.58 175.18 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' ASP . 77.3 tttt -37.71 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' ASP . 21.0 m-20 -110.94 -24.78 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 110.31 -171.46 14.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.9 mt -69.35 91.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.31 111.29 3.45 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -146.68 136.44 23.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.0 m -83.44 107.13 15.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 22.4 mt -97.61 135.65 39.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.32 117.37 11.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.01 135.12 22.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 32.1 t-20 -37.03 150.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 32.2 mttm -40.81 -48.98 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -88.21 127.63 35.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -67.85 -21.97 65.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -71.37 -20.44 62.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -105.83 94.7 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.9 tpt -70.6 105.18 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -150.25 151.27 32.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.7 mt -110.74 128.06 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 69.7 m-85 -129.1 159.49 35.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.7 t -101.92 96.15 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 m -93.17 11.2 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.93 151.72 11.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.422 HG13 ' CD1' ' A' ' 72' ' ' ILE . 85.2 mt -134.79 94.65 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -47.12 124.98 8.73 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.456 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.3 Cg_endo -69.84 -5.27 15.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.73 -28.31 16.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.7 -178.85 50.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.451 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.47 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.2 Cg_endo -69.85 -49.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -37.88 -40.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -68.95 -41.05 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -65.14 -38.47 90.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -64.75 -44.75 89.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.76 -13.82 22.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -72.5 -49.51 32.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.501 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 7.1 mtp -65.38 134.85 54.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -130.84 173.85 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.422 ' CD1' HG13 ' A' ' 58' ' ' ILE . 6.1 mm -75.78 119.81 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 129.16 -19.96 5.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.528 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.513 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.7 m-20 -58.4 152.28 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.471 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 29.8 tt0 -125.57 105.7 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.61 129.49 42.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.483 HD11 ' CG ' ' A' ' 19' ' ' TYR . 16.1 mt -110.41 -39.71 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -146.46 150.25 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.448 ' O ' ' C ' ' A' ' 80' ' ' ASN . 55.0 mt -147.41 139.38 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 79' ' ' ILE . 18.6 t-20 34.3 49.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 61.04 53.8 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -159.5 110.69 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.3 mt -67.52 131.18 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.2 mt -97.85 -21.32 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -50.89 101.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 124.22 -29.91 4.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -90.68 167.62 12.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.327 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.5 t -86.71 147.64 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -46.18 -36.41 5.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -52.53 -40.19 62.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 50.7 m-20 -67.54 -49.6 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -42.52 -62.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -47.01 -35.26 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -64.07 -44.75 91.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.59 -43.81 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.56 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -53.8 -43.82 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 49.4 p -76.41 -26.59 55.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.37 149.26 98.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.567 0.699 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.6 Cg_endo -69.79 171.96 13.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' PRO . 63.4 m -38.14 -65.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -76.06 122.4 24.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.4 t -132.28 143.87 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.439 ' HE2' ' CG2' ' A' ' 28' ' ' ILE . 45.8 tttm -94.92 126.22 40.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.454 ' CD1' HD13 ' A' ' 31' ' ' LEU . 8.8 mt -115.15 123.87 50.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.8 t -116.25 99.82 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.513 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 10.8 p90 -124.48 174.62 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.439 ' CD1' ' HB2' ' A' ' 22' ' ' LEU . 5.8 tt -116.46 150.84 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 ttt-85 -110.25 103.09 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -130.15 135.66 48.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -72.93 -15.83 61.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.83 -26.12 24.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -49.59 -49.25 47.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 27.5 m -49.41 -27.44 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -88.6 -36.87 16.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -68.25 -57.61 5.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.498 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 21.7 ptt? -51.22 138.94 19.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.56 -41.19 29.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.5 p 58.08 45.01 18.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -178.67 84.09 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 0.24 5.91 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.689 2.26 . . . . 0.0 112.38 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 81.1 p -102.36 129.68 48.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.9 t -109.67 104.87 13.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.8 p -129.95 159.03 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.921 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -112.46 168.37 9.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.53 107.79 1.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -88.02 84.52 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.952 0.406 . . . . 0.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -93.13 96.66 10.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.71 84.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.527 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -101.98 27.84 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.04 6.37 8.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -110.6 12.91 22.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.4 p -79.16 143.44 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.73 -55.66 2.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -52.56 -39.7 61.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -73.92 -31.78 63.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 85.3 mt -71.46 -51.85 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HA ' ' CD2' ' A' ' 26' ' ' LEU . 7.5 ptm180 -63.98 -29.82 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -83.4 -29.94 27.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.1 ttm-85 -68.7 -46.16 69.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.499 ' CG ' HD13 ' A' ' 77' ' ' LEU . 80.4 m-85 -99.41 12.53 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.55 -7.76 16.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.39 -19.36 25.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.84 148.8 86.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -49.75 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.421 ' N ' HD13 ' A' ' 108' ' ' ILE . . . -59.21 -177.7 1.07 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -103.98 121.84 43.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.409 ' CD2' ' HA ' ' A' ' 16' ' ' ARG . 7.2 tp -70.7 124.49 24.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -127.71 106.99 9.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 67.3 mt -97.88 109.92 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.405 ' CD1' ' HB2' ' A' ' 69' ' ' ARG . 16.6 pt -121.27 150.7 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -107.34 116.51 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.408 HD11 ' CD1' ' A' ' 105' ' ' LEU . 40.5 mt -115.2 127.01 55.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' LYS . 8.2 tt0 -85.65 111.64 20.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' GLU . 15.1 mtmt -37.14 130.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' LYS . 10.9 t70 -91.88 -179.97 5.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' ASP . 14.4 tmtt? -34.39 -44.76 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -97.78 -35.3 10.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.58 -167.28 18.0 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 28.4 mt -70.86 70.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.77 95.06 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.452 HD21 ' CB ' ' A' ' 64' ' ' ALA . 11.4 mt -134.95 140.59 45.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.6 m -92.34 114.48 27.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 mt -102.98 149.53 24.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 118' ' ' ALA . . . -151.17 115.76 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -50.4 149.0 6.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' LYS . 31.1 t-20 -47.18 135.09 10.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 45' ' ' ASN . 27.8 mttp -34.66 -38.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.58 105.23 17.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -48.77 -38.53 22.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 t -50.31 -32.01 15.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -87.55 152.99 21.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.1 tpt -118.85 95.55 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -154.98 147.13 23.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 19.4 mt -112.98 140.7 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.135 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 80.2 m-85 -132.7 -178.41 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.0 t -121.6 93.35 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 m -87.44 13.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.68 151.08 8.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.414 HG13 ' CD1' ' A' ' 72' ' ' ILE . 91.5 mt -134.35 98.84 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -39.27 122.72 1.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -10.21 28.04 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -103.59 -8.22 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.39 179.11 46.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.452 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -44.59 -43.33 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.32 -41.51 93.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.67 -34.39 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 6.9 t0 -68.51 -45.76 71.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.66 -20.87 12.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.405 ' HB2' ' CD1' ' A' ' 29' ' ' ILE . 17.7 mmm180 -60.54 -43.06 97.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.554 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 8.9 mtp -79.3 139.99 37.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -135.29 173.47 11.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.414 ' CD1' HG13 ' A' ' 58' ' ' ILE . 3.7 mm -76.33 115.99 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 124.15 -7.55 8.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.544 ' OD2' ' CE1' ' A' ' 107' ' ' PHE . 86.7 m-20 -73.84 129.99 39.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.776 0.322 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.564 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 14.7 tt0 -97.45 110.35 22.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 50.7 mt -64.14 122.21 16.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.931 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.499 HD13 ' CG ' ' A' ' 19' ' ' TYR . 14.5 mt -100.83 -46.44 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -137.73 152.04 48.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 52.4 mt -154.24 109.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 62.85 48.38 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 61.65 43.52 9.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -144.47 120.14 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.9 mt -70.81 144.13 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.1 mt -130.87 3.97 4.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.595 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 44.2 t80 -76.76 7.82 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.62 18.6 1.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -128.08 174.54 9.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.5 t -89.08 157.84 18.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -62.91 -23.95 67.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -66.0 -23.85 66.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -84.71 -41.59 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.99 -54.41 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t -56.42 -39.72 73.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.08 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.73 -46.04 95.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.33 -47.15 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -52.74 -46.73 67.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.9 p -73.07 -21.7 60.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.27 152.41 92.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 172.11 13.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.6 m -42.33 -63.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -77.77 112.27 14.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.1 t -116.64 150.27 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -107.96 111.66 23.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.408 ' CD1' HD11 ' A' ' 31' ' ' LEU . 6.7 mt -102.51 129.84 49.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.8 t -120.24 100.54 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.554 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 36.4 p90 -122.87 177.78 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.421 HD13 ' N ' ' A' ' 24' ' ' GLY . 7.8 tt -129.51 125.45 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -85.7 123.06 30.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -151.47 133.4 15.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.35 -10.86 59.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -95.32 -16.52 22.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.73 -35.35 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.5 m -59.92 -24.35 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -87.05 -35.87 18.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -73.26 -42.88 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.506 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -59.12 128.42 37.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.495 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . -80.28 100.3 8.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.5 t -60.13 118.34 6.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 130.7 86.72 0.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . 0.434 ' O ' ' C ' ' A' ' 122' ' ' SER . 53.8 Cg_endo -69.78 87.26 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.368 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 121' ' ' PRO . 37.1 p -35.52 117.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.6 m -89.74 129.44 36.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.512 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 p -88.58 103.69 16.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.9 m -40.73 155.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.94 -108.47 0.58 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -71.93 -47.89 49.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -68.77 171.57 7.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.04 87.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.75 43.67 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.87 -11.58 33.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -101.82 11.25 38.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 14.6 p -67.92 133.26 48.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -36.15 -57.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -49.24 -39.96 32.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' THR . 10.4 mmtm -75.64 -32.38 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 79.7 mt -65.05 -48.28 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 16.5 ptp180 -63.38 -48.6 77.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.6 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 -67.74 -45.0 76.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -100.64 17.63 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.97 -19.96 65.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.31 -29.69 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.6 mt -53.6 150.14 13.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.897 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.413 ' HG2' ' ND2' ' A' ' 110' ' ' ASN . 54.1 Cg_endo -69.74 -49.3 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 0.0 112.367 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.93 -173.31 3.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -109.35 127.56 54.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tp -68.32 133.08 48.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -134.32 108.05 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 72.1 mt -100.52 109.96 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.448 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 21.6 pt -122.34 146.38 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -100.93 114.08 27.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 49.8 mt -115.41 133.95 55.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -95.74 116.76 29.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -40.88 127.99 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.9 t70 -87.01 177.17 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -34.63 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' ASP . 10.3 m-80 -108.81 -23.66 11.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 107.92 -177.25 21.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.543 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.8 mt -59.71 109.93 1.03 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -100.26 105.48 2.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.406 HD21 ' CB ' ' A' ' 64' ' ' ALA . 7.0 mt -143.57 133.61 24.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.5 m -83.98 105.86 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.5 mt -92.32 152.57 19.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.53 123.44 5.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.91 153.41 6.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 27.9 t-20 -53.84 153.88 4.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.933 0.397 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 4.7 mtpm? -37.43 -34.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -105.91 147.65 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -5.54 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -85.86 -25.95 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -95.63 94.08 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.817 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.93 97.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -148.33 151.89 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.6 mt -115.83 134.95 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.465 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 66.6 m-85 -130.12 173.53 10.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.5 t -118.57 94.81 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 119' ' ' SER . 17.5 m -93.86 20.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.45 150.73 8.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.4 mt -133.23 102.86 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 111.137 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -41.68 118.61 1.91 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.736 . . . . 0.0 110.862 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -11.19 30.33 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.395 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -104.37 -8.69 19.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.26 -179.43 46.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -49.25 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.406 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -43.99 -43.04 6.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.09 -42.47 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.92 89.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.405 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 8.9 t70 -65.32 -49.36 69.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.51 -23.86 11.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.405 ' CG ' ' OD2' ' A' ' 67' ' ' ASP . 16.5 mmm180 -57.08 -45.68 83.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.448 ' HG3' ' CD1' ' A' ' 29' ' ' ILE . 9.5 mtp -71.87 146.0 48.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.0 mtm180 -143.49 166.24 25.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.915 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.5 mm -68.94 118.29 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.09 -21.39 5.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.591 ' CG ' ' CE1' ' A' ' 107' ' ' PHE . 85.2 m-20 -54.73 153.93 5.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -125.96 98.1 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.3 mt -51.35 123.63 10.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 mt -105.06 -43.81 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -143.97 152.33 40.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 81.5 mt -150.58 124.6 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 51.93 47.07 25.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.3 m120 60.95 53.66 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -156.29 107.66 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.2 mt -68.49 133.05 32.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.413 ' O ' ' N ' ' A' ' 86' ' ' GLY . 11.9 mt -104.03 -21.05 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -44.89 94.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 118.46 11.46 7.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.488 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -124.82 173.6 8.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.819 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 76.8 p -86.94 153.5 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -59.09 -39.48 82.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -53.63 -34.04 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -69.28 -42.78 75.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.03 -63.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.1 p -44.91 -40.0 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.69 -50.52 71.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.072 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 75.1 mt -56.19 -39.86 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 88.3 mt -65.22 -46.2 91.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -52.05 -46.39 65.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -73.71 -28.33 61.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.82 151.35 96.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.54 0.686 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.7 Cg_endo -69.8 171.31 14.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.649 2.233 . . . . 0.0 112.359 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 100' ' ' PRO . 39.6 m -36.68 -64.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -77.0 119.02 20.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 32.2 t -127.46 129.23 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -80.62 124.94 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.9 mt -116.45 115.11 25.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.3 t -108.96 103.15 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.591 ' CE1' ' CG ' ' A' ' 74' ' ' ASP . 42.8 p90 -125.67 179.93 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 7.8 tt -127.96 120.85 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.6 tpp85 -80.69 94.65 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.413 ' ND2' ' HG2' ' A' ' 23' ' ' PRO . 61.4 t-20 -115.27 122.53 46.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -64.51 -15.32 60.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -94.06 -12.08 29.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -72.5 -27.64 62.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 19.7 m -53.26 -34.37 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -90.7 -45.55 8.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -46.8 -29.14 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.465 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 17.9 ptt? -87.42 122.6 31.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 117' ' ' MET . . . -34.04 -36.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.462 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 8.0 t 64.97 32.63 10.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -156.01 87.81 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -29.2 24.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.381 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.7 t -70.2 169.22 14.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -113.16 -47.6 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -69.56 85.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -142.86 149.59 38.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.0 134.08 3.01 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 m -92.01 114.15 26.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.375 . . . . 0.0 110.818 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -121.43 153.73 37.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.21 66.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.84 38.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.66 -8.29 47.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -105.14 16.6 25.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' ASP . 20.6 p -79.53 137.56 37.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 15' ' ' ILE . 10.0 t70 -36.41 -61.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' ASP . 7.6 pt20 -37.67 -45.4 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -75.98 -34.91 59.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 12' ' ' ASP . 86.5 mt -62.74 -50.46 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.429 ' HB2' ' NH1' ' A' ' 16' ' ' ARG . 2.4 ptm85 -61.45 -39.17 89.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -74.09 -32.41 63.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -69.48 -42.94 74.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -103.21 16.91 25.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.0 -25.58 64.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.09 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.64 -30.69 71.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 mt -53.79 151.17 12.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.543 0.687 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -49.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.702 2.268 . . . . 0.0 112.38 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -166.05 0.32 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -120.12 125.23 47.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.4 tp -63.59 130.15 43.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -132.51 109.99 10.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.418 ' CD1' ' OD1' ' A' ' 12' ' ' ASP . 36.2 mt -99.57 115.79 41.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 42.7 pt -128.53 139.27 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -97.79 120.1 37.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.7 mt -121.28 124.2 44.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -81.2 114.27 19.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.8 mtmt -39.15 123.1 1.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 35' ' ' LYS . 13.6 t70 -80.43 175.1 10.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -34.19 -39.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -100.8 -33.4 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.63 -178.13 16.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 22.6 mt -61.05 94.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.82 103.99 2.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.427 ' CD2' HG12 ' A' ' 58' ' ' ILE . 39.8 mt -140.77 133.67 29.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -86.92 110.81 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.19 150.07 21.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -152.02 113.43 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.401 ' O ' ' CB ' ' A' ' 118' ' ' ALA . . . -41.76 163.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' LYS . 21.2 t-20 -64.49 146.57 54.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.849 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.462 ' N ' ' HB3' ' A' ' 118' ' ' ALA . 4.9 mtpm? -37.79 -45.87 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.85 106.59 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' SER . 9.1 ptt85 -42.26 -51.32 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' ARG . 5.8 m -37.55 -37.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -82.34 148.36 28.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.6 tpt -121.39 104.57 9.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.66 144.3 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 20.4 mt -100.21 130.19 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 60.9 m-85 -125.95 167.39 15.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 66.7 t -115.57 89.13 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.3 m -91.41 22.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.42 151.34 8.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.427 HG12 ' CD2' ' A' ' 40' ' ' LEU . 98.6 mt -134.79 97.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 111.114 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.413 ' CG ' ' HG2' ' A' ' 61' ' ' GLU . 9.1 t-20 -42.84 118.89 2.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.666 0.746 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.441 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.4 Cg_endo -69.8 0.08 6.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.413 ' HG2' ' CG ' ' A' ' 59' ' ' ASN . 10.4 pt-20 -102.51 -25.37 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.81 -175.77 49.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.462 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.4 Cg_endo -69.81 -49.03 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.29 -36.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.441 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -82.26 -34.71 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -67.93 -53.11 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -60.12 -36.1 76.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.83 48.74 59.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.527 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -122.29 -43.93 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.559 ' HE2' ' CD2' ' A' ' 107' ' ' PHE . 6.0 mtp -72.45 153.53 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -138.38 174.31 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.459 HG23 ' CE ' ' A' ' 117' ' ' MET . 7.8 mm -81.42 119.76 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.53 -18.96 6.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.448 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.4 m-20 -60.85 136.53 58.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -108.83 100.04 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.2 mt -50.2 136.11 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.2 mt -118.85 -39.2 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.402 ' C ' HG13 ' A' ' 79' ' ' ILE . 47.3 mt-10 -148.09 151.62 35.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 78' ' ' GLU . 90.2 mt -152.0 131.32 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 48.67 43.26 20.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.0 m120 62.64 54.44 2.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -154.9 119.6 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.6 mt -74.47 127.38 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.455 ' CD2' HD11 ' A' ' 95' ' ' ILE . 7.9 mt -101.66 -20.42 15.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -47.69 96.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.35 30.92 2.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -145.36 166.11 26.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.0 p -77.8 146.15 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -49.17 -46.06 44.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -45.86 -41.77 11.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -59.72 -48.96 79.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.08 -62.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -49.4 -41.0 38.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.25 73.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.455 HD11 ' CD2' ' A' ' 84' ' ' LEU . 81.1 mt -54.26 -39.56 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 83.4 mt -65.17 -47.29 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -51.25 -42.55 61.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.3 p -75.28 -25.1 57.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.43 154.36 94.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.067 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 174.94 8.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -44.06 -57.0 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.807 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -81.03 116.12 20.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.9 t -126.24 142.08 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -99.59 117.52 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.8 mt -106.78 120.02 40.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 93.2 t -110.15 102.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.559 ' CD2' ' HE2' ' A' ' 70' ' ' MET . 31.9 p90 -128.4 171.97 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.2 tt -112.32 155.79 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -112.07 94.19 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 112' ' ' ASP . 31.1 t-20 -124.28 114.99 20.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.49 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 13.2 tt0 -51.13 -42.65 60.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 1.1 m-20 -60.88 -28.91 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.69 -42.59 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 111' ' ' GLU . 28.5 m -44.13 -33.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -91.6 -51.86 5.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -45.16 -38.18 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.517 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 22.4 ptt? -68.82 124.46 23.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.462 ' HB3' ' N ' ' A' ' 46' ' ' LYS . . . -67.32 97.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.7 t -63.27 133.14 53.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 128.83 90.09 0.62 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -0.58 7.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m -62.89 -70.3 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 124' ' ' GLY . 29.1 p -94.63 -61.87 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.41 ' N ' ' OG ' ' A' ' 123' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p 40.37 42.72 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.917 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -108.03 128.38 54.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.73 90.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.4 p -76.91 100.62 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -60.13 119.74 8.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.23 -24.8 1.75 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.43 39.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.3 -1.94 58.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -110.57 18.27 19.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' ASP . 43.4 p -88.15 141.13 28.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -34.82 -65.42 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' A' ' 14' ' ' LYS . 9.3 pt20 -38.63 -42.54 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 5.0 mmpt? -76.26 -39.64 53.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 89.5 mt -58.58 -49.29 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.9 ptt180 -63.74 -39.87 95.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -73.23 -27.43 61.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -74.58 -39.69 62.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -107.48 14.33 25.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.1 -19.09 65.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.086 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -72.89 -27.59 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.5 mt -54.99 152.05 14.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.69 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.76 -175.44 6.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.65 126.11 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 6.9 tp -59.0 134.16 56.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -131.8 96.4 3.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.8 mt -91.43 105.74 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.422 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 33.0 pt -123.9 136.99 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -95.71 124.27 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.435 HD12 ' CD1' ' A' ' 105' ' ' LEU . 14.8 mt -122.36 125.83 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -82.34 112.35 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HD3' ' CG2' ' A' ' 96' ' ' ILE . 5.5 mtmp? -39.92 131.55 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.3 t0 -92.0 -178.36 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ASP . 22.0 ttmt -35.56 -32.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ASP . 91.1 m-20 -114.3 -21.98 10.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.74 -166.68 12.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 mt -70.8 98.84 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.932 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.67 99.26 2.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.469 HD22 ' CB ' ' A' ' 64' ' ' ALA . 9.2 mt -135.69 136.93 41.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 110.934 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.9 m -83.6 100.88 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.19 143.93 25.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.66 123.44 10.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.19 155.62 7.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -53.02 138.94 29.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' CD ' ' O ' ' A' ' 116' ' ' GLN . 13.7 mtpp -46.79 -35.08 5.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -94.73 112.29 24.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' ARG . 25.7 ttt180 -48.49 -61.67 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ARG . 74.6 m -36.65 -33.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' ARG . 8.1 mtt85 -94.81 140.12 30.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.3 mmt -115.25 130.63 56.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 m -175.64 151.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 14.5 mt -115.63 123.36 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CZ ' ' OE2' ' A' ' 75' ' ' GLU . 85.5 m-85 -119.01 178.72 4.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.1 t -119.78 95.84 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.436 ' CG1' ' SD ' ' A' ' 117' ' ' MET . 16.8 m -93.7 20.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.92 150.8 7.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.9 mt -134.97 97.77 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 111.125 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -43.92 122.06 3.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.424 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.76 -13.97 35.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -91.74 -22.72 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.25 -178.72 49.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.5 Cg_endo -69.76 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.469 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -38.25 -44.39 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -69.04 -36.49 77.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.88 -51.88 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.31 -32.96 70.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.86 46.71 93.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -122.27 -50.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.447 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 5.7 mtp -64.78 146.23 55.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 70' ' ' MET . 11.6 mmt-85 -130.5 177.15 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.8 mm -82.31 119.84 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.26 -20.04 7.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.552 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 71.7 m-20 -51.6 144.73 10.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.571 ' OE2' ' CZ ' ' A' ' 54' ' ' PHE . 42.7 tt0 -117.03 105.25 12.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.29 128.43 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 26.5 mt -111.37 -45.17 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -140.48 153.23 46.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 72.4 mt -154.0 131.92 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 48.95 33.91 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 71.88 53.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -154.7 124.86 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.7 mt -78.15 127.39 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 85' ' ' TYR . 11.0 mt -99.43 -29.91 12.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' LEU . 58.8 t80 -37.28 109.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.11 26.01 7.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -141.29 168.96 18.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.8 p -88.62 153.04 21.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -54.44 -39.24 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -50.31 -26.88 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -77.46 -41.06 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.84 -66.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.4 p -40.38 -42.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.49 -50.97 71.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.4 mt -55.15 -47.31 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.409 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 85.9 mt -60.49 -44.25 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -52.46 -43.65 65.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.1 p -77.05 -24.79 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.6 149.44 96.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 0.0 111.105 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.6 Cg_endo -69.78 170.92 15.46 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.318 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' PRO . 67.1 m -38.23 -55.47 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -82.21 117.1 22.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 89.6 t -127.89 140.45 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -95.42 125.05 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.435 ' CD1' HD12 ' A' ' 31' ' ' LEU . 4.9 mt -114.61 117.73 31.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.3 t -111.01 99.61 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.552 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 23.0 p90 -125.04 -176.56 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 5.9 tt -122.74 145.92 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -100.78 91.89 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -125.93 127.15 45.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.438 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 17.1 pt-20 -69.33 -33.46 73.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.85 -28.5 68.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.75 71.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.457 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 16.5 m -52.18 -22.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -92.62 -19.08 22.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.41 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 56.3 mt-30 -88.86 -38.58 14.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.513 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 25.9 ptt? -66.19 137.74 57.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -83.17 89.18 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.6 t -45.08 145.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.46 84.82 1.45 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -39.04 7.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.306 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.5 m -86.98 114.03 23.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.7 t -154.09 156.63 37.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m 52.31 44.99 29.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.835 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 p -94.31 152.92 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.62 -165.8 39.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -66.09 142.3 57.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -68.47 -53.75 21.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.71 73.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.22 43.62 1.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.34 -10.84 36.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -98.27 11.47 37.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LYS . 12.3 p -77.99 135.26 37.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' THR . 1.9 m-20 -35.98 -38.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -61.59 -48.81 79.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 11' ' ' THR . 24.8 mmmt -72.22 -24.38 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 94.1 mt -74.62 -46.56 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 17' ' ' GLN . 6.9 ptm180 -66.76 -37.65 85.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 18.5 mt-30 -74.14 -33.13 63.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.433 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 14.2 ttm105 -70.09 -39.42 75.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -105.34 13.33 30.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.87 -27.99 67.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.085 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -64.08 -29.39 70.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.403 ' CB ' HD11 ' A' ' 108' ' ' ILE . 24.6 mt -52.46 152.21 6.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -49.62 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -67.1 -171.1 4.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.401 ' C ' HG13 ' A' ' 108' ' ' ILE . 6.1 tp10 -112.89 135.12 54.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.6 tp -68.83 132.06 46.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -131.67 94.85 3.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.2 mt -88.57 108.02 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 15.4 pt -125.49 136.26 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -97.3 113.82 25.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 28.3 mt -109.67 121.98 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.39 119.99 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -55.84 120.59 7.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ASN . 21.8 t0 -79.43 176.43 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ASP . 14.0 pttm -36.64 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . 30.0 t30 -98.9 -41.31 7.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.482 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 143.01 -128.15 3.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.434 ' HA ' ' CG ' ' A' ' 63' ' ' PRO . 74.6 mt -101.75 -47.98 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.59 91.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.2 mt -144.16 136.64 26.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.46 ' HB2' ' CA ' ' A' ' 57' ' ' GLY . 70.7 m -84.02 128.59 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 mt -120.4 147.73 44.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.08 118.0 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.04 150.29 8.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' LYS . 28.2 t-20 -46.39 144.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' ASN . 5.4 mtpm? -34.65 -46.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -98.98 125.07 44.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.5 ttp85 -50.82 -50.11 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.1 p -40.5 -35.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 mtt85 -85.34 140.75 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.4 tpp -116.73 101.36 8.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -149.19 135.7 19.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 37.8 mt -99.53 107.28 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 56.7 m-85 -105.39 168.52 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 82.9 t -112.97 98.0 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.098 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.462 ' CG1' ' HA ' ' A' ' 119' ' ' SER . 6.3 m -95.19 6.96 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 41' ' ' SER . . . -172.0 152.79 18.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -134.82 105.73 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -44.59 113.03 1.58 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . 0.429 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.4 Cg_endo -69.75 -3.56 12.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -103.59 -19.5 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.92 -174.15 46.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.6 Cg_endo -69.71 -47.97 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.0 -39.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.058 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.429 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -80.41 -44.37 19.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.25 -56.75 17.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -49.14 -35.23 16.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.3 39.3 94.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -118.51 -51.8 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.567 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 7.3 mtp -66.14 135.82 55.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 14.8 mmt180 -124.2 176.87 6.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.9 mm -82.78 120.48 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.089 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.93 -16.52 6.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.544 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.554 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 71.2 m-20 -58.74 160.75 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.309 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 27.2 tt0 -131.54 98.51 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 96.5 mt -51.94 135.03 31.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.4 mt -119.47 -43.9 2.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.962 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -142.79 148.88 37.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.412 HG22 ' N ' ' A' ' 80' ' ' ASN . 71.2 mt -147.65 135.56 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.42 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 14.0 t-20 44.94 35.35 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.9 t30 71.93 41.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -142.73 108.36 5.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.48 129.08 29.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.8 mt -99.36 -21.3 16.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -46.34 98.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.54 3.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -144.31 163.17 34.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.9 p -78.31 147.92 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -51.09 -42.62 60.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -49.51 -41.99 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 63.8 m-20 -60.57 -52.18 66.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -41.02 -63.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.6 t -44.11 -39.54 4.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.37 -55.35 35.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.135 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 72.8 mt -50.48 -43.08 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 98.3 mt -62.15 -47.31 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -50.86 -42.76 59.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.2 p -77.45 -27.59 52.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.4 149.5 91.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.561 0.696 . . . . 0.0 111.119 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 101' ' ' SER . 54.1 Cg_endo -69.71 169.59 18.48 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 100' ' ' PRO . 1.2 t -35.78 -63.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.47 123.0 25.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.3 t -130.44 142.86 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -100.18 120.88 40.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.2 mt -109.74 121.81 46.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 76.8 t -113.37 102.49 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.567 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 17.9 p90 -131.65 175.15 9.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.403 HD11 ' CB ' ' A' ' 22' ' ' LEU . 10.8 tt -119.2 142.05 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.2 tpp85 -100.59 109.61 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 113' ' ' ALA . 30.5 t-20 -136.29 106.97 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.502 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 5.1 tp10 -44.35 -42.09 6.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -62.09 -33.16 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 110' ' ' ASN . . . -50.37 -43.21 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 111' ' ' GLU . 18.8 m -47.27 -28.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -87.26 -47.07 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -56.94 -35.47 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.491 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 18.9 ptt? -72.53 123.29 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 117' ' ' MET . . . -33.95 -37.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.462 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 32.3 p 53.45 42.2 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -175.38 85.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.443 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 1.99 3.91 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' SER . 99.0 p -67.16 155.15 39.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' SER . 67.0 p 35.25 37.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -62.75 -22.58 66.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.365 . . . . 0.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -115.04 89.73 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.4 -142.64 3.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -120.56 103.13 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -102.47 136.51 42.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.9 71.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.67 25.02 4.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.31 0.12 15.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -115.32 27.65 9.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 21.5 p -80.84 144.14 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -38.48 -41.59 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -61.07 -41.87 97.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 14.8 mmtp -78.59 -27.38 45.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 84.2 mt -71.87 -45.3 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -66.72 -39.23 87.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -74.06 -31.19 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -69.84 -41.18 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -103.12 11.57 36.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.14 -21.91 66.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -31.86 69.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.6 mt -52.4 151.77 7.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -63.49 -171.5 1.87 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -112.33 133.77 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.24 133.77 46.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -138.21 108.58 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.9 mt -99.94 114.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.437 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 49.7 pt -128.03 137.72 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -98.12 108.81 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.402 HD12 ' CD1' ' A' ' 105' ' ' LEU . 22.8 mt -104.83 126.0 51.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -79.61 110.99 15.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' HD3' ' CG2' ' A' ' 96' ' ' ILE . 17.1 mtmm -46.54 120.51 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 36' ' ' ASN . 27.4 t0 -79.3 179.75 7.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -44.23 -22.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 34' ' ' ASP . 7.3 p30 -108.63 -39.79 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.57 -172.93 15.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' CD1' HD21 ' A' ' 105' ' ' LEU . 21.3 mt -66.13 74.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.34 93.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 58' ' ' ILE . 8.2 mt -137.98 139.59 39.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 m -92.8 111.2 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -95.71 150.82 19.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.404 ' HB1' ' CG1' ' A' ' 56' ' ' VAL . . . -151.98 128.67 10.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -65.66 136.84 36.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.436 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' LYS . 26.3 t-20 -35.68 141.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' ASN . 27.5 mttm -34.69 -46.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.47 109.57 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -47.87 -47.23 31.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.9 m -46.46 -28.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -89.4 94.64 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.9 tpt -70.88 94.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.6 149.05 30.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 mt -105.68 143.8 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 49.7 m-85 -140.08 173.58 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.3 t -114.74 100.67 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.404 ' CG1' ' HB1' ' A' ' 43' ' ' ALA . 15.2 m -100.72 19.14 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.08 151.49 7.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 59' ' ' ASN . 96.0 mt -134.23 98.96 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.169 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 58' ' ' ILE . 5.2 t-20 -34.84 120.8 0.57 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -12.66 33.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.25 . . . . 0.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -104.7 -6.53 20.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.01 -178.33 47.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.17 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.731 2.287 . . . . 0.0 112.275 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.72 -41.31 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.33 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.43 -50.93 57.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -64.72 -29.37 70.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.72 40.11 98.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -112.92 -57.52 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.552 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 15.5 mtp -61.31 137.4 58.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 -120.53 175.51 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.3 mm -83.48 122.59 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.95 -17.0 9.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.462 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -55.04 142.49 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.836 0.351 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.542 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 43.2 tt0 -110.75 94.1 4.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 93.4 mt -47.09 136.48 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 25.7 mt -117.73 -42.38 2.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.405 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.6 mt-10 -146.82 157.99 43.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.405 HG13 ' C ' ' A' ' 78' ' ' GLU . 74.5 mt -153.6 110.79 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 63.33 44.54 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.2 t30 66.48 48.19 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.9 mt-30 -149.82 110.2 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.1 mt -72.15 130.56 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.3 mt -101.68 -22.36 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -39.97 107.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.78 29.88 6.35 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -139.68 169.05 18.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 86.6 p -87.25 150.47 23.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -59.23 -18.08 33.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -71.91 -25.62 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -80.64 -41.45 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.078 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -56.53 -41.04 76.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.92 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 66.2 mt -56.52 -44.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.184 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.443 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 49.0 mt -62.82 -44.54 99.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -55.53 -35.45 65.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.5 p -87.13 -19.31 28.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -73.79 151.29 88.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.577 0.704 . . . . 0.0 111.073 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 173.21 11.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.652 2.234 . . . . 0.0 112.311 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.9 m -45.39 -63.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -76.44 112.63 13.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.443 ' CG2' ' NZ ' ' A' ' 33' ' ' LYS . 13.4 t -122.62 147.69 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -107.79 108.47 19.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.41 HD21 ' CD1' ' A' ' 38' ' ' LEU . 6.0 mt -92.95 139.16 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 95.3 t -125.95 102.97 10.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.552 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 39.2 p90 -128.82 179.63 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 10.2 tt -128.16 124.45 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -78.77 140.57 38.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -168.29 132.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.61 -21.47 57.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.4 -23.97 37.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -56.29 -50.76 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 33.0 m -40.55 -35.73 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -74.28 -40.21 62.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 113' ' ' ALA . 75.4 mm-40 -70.18 -51.74 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.438 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -53.77 140.38 30.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -79.45 -175.6 4.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 77.8 p -138.96 112.0 7.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.67 87.44 0.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -23.21 30.7 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.662 2.242 . . . . 0.0 112.278 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.2 m -61.34 -47.99 83.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 m -128.26 126.81 41.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -89.7 131.72 35.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -125.75 110.02 13.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.05 -48.01 6.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -129.08 112.34 13.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 t -95.04 -51.29 4.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.11 74.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.47 22.98 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.13 2.06 9.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -107.7 19.89 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 12' ' ' ASP . 22.3 p -89.91 139.11 30.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 11' ' ' THR . 8.1 t0 -37.18 -39.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -56.94 -47.06 81.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' THR . 5.3 mmpt? -74.74 -29.95 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 97.8 mt -67.84 -53.97 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.421 ' HG3' ' N ' ' A' ' 17' ' ' GLN . 16.0 ptt180 -56.96 -40.49 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.421 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 25.7 mt-30 -75.95 -32.24 59.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -66.09 -46.54 77.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.502 ' CG ' HD11 ' A' ' 77' ' ' LEU . 83.5 m-85 -99.94 13.81 32.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.07 -19.85 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.58 -16.16 60.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' CB ' HD11 ' A' ' 108' ' ' ILE . 40.6 mt -66.42 152.52 94.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.63 -175.6 4.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -108.98 126.03 52.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.867 0.365 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.42 127.24 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -130.14 106.85 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 52.0 mt -99.57 115.92 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 24.2 pt -130.15 139.72 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -100.06 122.94 43.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.3 mt -121.36 133.79 55.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -89.13 112.91 24.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -37.47 117.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -75.19 -175.17 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -45.44 -24.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -116.76 -20.04 9.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.32 -178.71 26.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.98 109.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.918 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -100.83 110.53 3.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.439 HD22 ' CB ' ' A' ' 64' ' ' ALA . 6.4 mt -147.2 137.35 23.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 110.937 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.7 m -90.04 103.0 15.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.7 mt -90.81 149.19 22.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.24 130.68 14.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.92 168.77 4.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.8 t-20 -76.12 139.91 41.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' ASN . 61.8 mttt -35.03 -48.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.68 112.45 22.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -49.4 -50.19 41.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.6 m -46.98 -33.7 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -89.24 123.93 33.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.4 mmm -99.4 129.18 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 m -174.96 142.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.6 mt -109.1 115.36 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.5 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 73.3 m-85 -111.51 170.08 8.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 97.7 t -112.99 95.99 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.6 m -96.49 23.74 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.41 149.27 6.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.8 mt -131.27 98.97 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.421 ' CG ' ' HG2' ' A' ' 61' ' ' GLU . 11.2 t-20 -39.29 118.32 1.18 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -4.43 14.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.421 ' HG2' ' CG ' ' A' ' 59' ' ' ASN . 4.4 pt-20 -101.38 -23.27 14.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.61 -178.58 51.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.447 ' O ' ' N ' ' A' ' 66' ' ' ALA . 54.0 Cg_endo -69.73 -48.67 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.439 ' CB ' HD22 ' A' ' 40' ' ' LEU . . . -39.31 -41.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.65 68.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.27 -48.67 74.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -61.74 -39.94 93.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.27 31.91 63.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -106.6 -52.69 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.429 ' HG3' ' CD1' ' A' ' 29' ' ' ILE . 7.3 mtp -62.96 137.55 58.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.421 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 5.7 mmm180 -124.13 168.74 12.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.2 mm -76.34 121.56 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.35 -21.44 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.599 ' CG ' ' CD1' ' A' ' 107' ' ' PHE . 77.4 m-20 -54.12 146.76 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -116.86 98.08 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 91.9 mt -50.35 127.25 16.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.502 HD11 ' CG ' ' A' ' 19' ' ' TYR . 19.8 mt -108.82 -45.97 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -144.38 155.98 44.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.426 ' O ' ' C ' ' A' ' 80' ' ' ASN . 66.1 mt -151.05 139.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' ILE . 8.1 t-20 35.96 48.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 62.26 54.77 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -158.63 114.73 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.5 mt -73.03 129.12 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.9 mt -99.87 -21.91 15.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -44.45 106.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 114.39 -38.17 3.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -75.23 176.99 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.6 p -87.06 162.27 17.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -67.48 -34.91 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -59.38 -40.86 87.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -61.29 -42.32 98.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.95 -53.67 46.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -54.05 -34.81 61.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.12 91.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.2 -40.71 88.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.98 -44.72 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -53.56 -45.3 69.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.3 p -76.04 -19.69 58.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.69 152.31 93.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.619 0.724 . . . . 0.0 111.071 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 173.71 10.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 m -42.53 -64.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -77.06 110.58 11.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -116.0 141.9 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -97.82 125.33 42.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.8 mt -117.4 128.19 54.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 96.1 t -120.18 101.59 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.599 ' CD1' ' CG ' ' A' ' 74' ' ' ASP . 50.9 p90 -125.46 177.69 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.432 HD11 ' CB ' ' A' ' 22' ' ' LEU . 7.6 tt -125.43 123.66 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -79.67 110.09 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -134.21 106.75 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.417 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 11.9 tt0 -53.52 -22.91 9.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -78.26 -31.81 49.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.93 -37.52 63.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.419 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 24.4 m -49.23 -24.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -88.85 -46.88 8.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -54.7 -65.13 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.5 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 13.1 ptt? -42.56 128.41 3.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -43.77 -46.67 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.2 t 71.98 38.85 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.72 83.46 0.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.529 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 151.12 69.02 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.5 p -93.39 156.78 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 96.8 p -104.26 131.63 51.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -85.77 162.73 18.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -152.11 125.64 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.16 87.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 p -144.0 131.48 21.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -163.87 156.35 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.29 59.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.56 32.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.65 -3.34 57.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -110.96 19.62 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' LYS . 24.5 p -82.17 134.54 35.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -36.96 -48.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -55.57 -41.28 73.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' THR . 28.2 mmtm -78.37 -28.11 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 93.9 mt -70.02 -48.67 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 32.9 ptt180 -62.56 -42.33 99.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -70.17 -31.46 68.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 18' ' ' ARG . 15.5 ttm105 -69.35 -40.86 77.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.518 ' CG ' HD12 ' A' ' 77' ' ' LEU . 69.7 m-85 -104.1 14.55 30.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.3 -18.18 65.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.95 -28.1 49.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.459 ' CB ' HD12 ' A' ' 108' ' ' ILE . 24.3 mt -51.43 152.77 4.23 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -49.16 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.337 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.413 ' C ' HD13 ' A' ' 108' ' ' ILE . . . -66.52 -167.6 2.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -119.28 121.88 40.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.7 tp -60.86 129.15 40.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -131.1 99.68 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.5 mt -88.96 109.5 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.448 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 16.0 pt -128.34 136.42 60.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -89.91 113.78 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 18.8 mt -107.67 118.92 38.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 108.79 12.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' NZ ' ' O ' ' A' ' 99' ' ' ALA . 10.7 mtmm -44.85 122.34 3.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' ASN . 23.3 t0 -79.85 177.41 8.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -40.77 -24.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' ASP . 12.7 p30 -107.96 -39.53 5.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.12 -174.41 15.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.84 89.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.931 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.14 97.09 1.51 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 8.5 mt -135.77 137.86 42.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.353 . . . . 0.0 110.879 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -84.83 105.37 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.404 ' CB ' ' HB2' ' A' ' 89' ' ' HIS . 36.9 mt -91.03 144.77 25.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.41 119.1 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -58.88 135.41 52.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 46' ' ' LYS . 26.0 t-20 -35.7 137.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.384 . . . . 0.0 110.866 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 45' ' ' ASN . 41.5 mttm -34.16 -43.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -90.69 109.73 20.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -55.93 -23.23 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.0 p -65.47 -22.22 66.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -105.18 93.32 4.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 tpt -65.94 99.39 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.85 150.25 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.418 ' CD1' ' HA ' ' A' ' 89' ' ' HIS . 62.1 mt -116.17 130.52 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.467 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 77.2 m-85 -128.86 -177.43 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.1 t -121.24 102.12 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 m -102.18 20.63 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.17 149.35 7.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.5 mt -135.05 98.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.377 . . . . 0.0 111.097 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -45.13 125.17 5.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.96 27.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -99.61 -17.22 17.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.51 179.2 53.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -45.82 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.673 2.248 . . . . 0.0 112.349 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -46.77 -40.85 14.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.69 -42.85 90.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.7 98.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -62.31 -45.95 90.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.74 -20.01 10.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -64.15 -47.07 81.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.448 ' HG3' ' CD1' ' A' ' 29' ' ' ILE . 4.5 mtp -64.29 137.36 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -133.86 170.81 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.7 mm -75.43 119.8 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 113' ' ' ALA . . . 126.92 -12.51 6.85 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.564 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 91.3 m-20 -60.62 146.32 45.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.732 0.301 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -116.64 96.78 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 70.1 mt -52.74 109.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.518 HD12 ' CG ' ' A' ' 19' ' ' TYR . 20.4 mt -91.22 -42.59 10.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -144.88 158.11 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 57.1 mt -153.57 130.57 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.435 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 19.9 t-20 45.47 42.33 7.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 m120 67.36 54.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -158.8 114.38 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.62 129.09 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 86' ' ' GLY . 10.8 mt -97.8 -22.82 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -40.72 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 114.2 29.19 2.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -141.76 165.94 26.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.6 p -86.59 145.49 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.418 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 15.2 p80 -49.37 -30.81 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.0 -35.39 73.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -72.21 -44.01 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -49.1 -53.79 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.6 p -51.24 -40.75 59.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.98 -49.5 76.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 69.7 mt -57.62 -36.91 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.3 mt -68.11 -46.75 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -49.83 -44.55 49.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.8 p -72.97 -31.27 64.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.456 ' O ' ' NZ ' ' A' ' 33' ' ' LYS . . . -64.61 146.9 98.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.435 ' HD2' ' ND2' ' A' ' 80' ' ' ASN . 53.7 Cg_endo -69.75 -171.52 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.2 p -50.75 -61.1 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -79.41 120.7 24.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.404 ' CG2' ' HZ2' ' A' ' 33' ' ' LYS . 21.7 t -129.57 131.1 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 42.7 tttp -81.97 116.76 21.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.8 mt -109.48 104.41 13.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 88.5 t -98.68 102.65 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.564 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 47.5 p90 -128.2 178.47 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.459 HD12 ' CB ' ' A' ' 22' ' ' LEU . 5.8 tt -128.26 125.47 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -81.36 94.91 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -116.58 116.17 27.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -55.16 -33.05 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.11 -25.14 64.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -48.32 -50.57 29.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.468 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 19.6 m -49.69 -28.19 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -85.34 -22.92 28.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -87.92 -59.26 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 114' ' ' VAL . 18.0 ptt? -52.93 144.1 15.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -89.97 97.59 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.9 t -55.85 138.61 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 90.6 88.19 1.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 148.96 66.22 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.633 2.222 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.2 p -109.02 115.07 29.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.4 p -146.06 161.38 40.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -157.83 155.54 29.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -84.75 45.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.14 122.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -143.91 168.88 18.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.82 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.0 p -120.19 -59.65 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.95 70.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.87 29.11 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.75 -4.45 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -102.02 24.57 9.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 p -90.08 144.38 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.82 -59.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -47.14 -37.18 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -77.22 -38.31 51.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.48 -49.78 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 12.2 ptt85 -64.93 -38.66 91.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.61 -28.99 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -72.52 -39.83 67.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.484 ' CG ' HD12 ' A' ' 77' ' ' LEU . 77.7 m-85 -104.62 13.92 30.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.96 -26.48 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -67.03 -29.44 69.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.4 mt -52.95 152.35 7.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.59 0.71 . . . . 0.0 110.925 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -70.22 177.72 31.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.47 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.83 129.73 48.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.6 tp -61.11 128.59 37.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -127.78 98.43 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 80.6 mt -94.93 110.78 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 29.5 pt -124.81 147.86 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.49 123.14 43.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 105' ' ' LEU . 60.7 mt -124.42 134.37 53.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -95.26 119.43 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -43.75 117.12 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -76.54 173.97 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.6 pttp -34.58 -36.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' ASP . 6.1 t-20 -104.27 -22.83 13.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 105.64 174.1 23.9 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.1 mt -54.12 113.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.918 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.7 112.41 4.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -148.38 136.36 20.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -87.77 104.76 16.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.46 HD21 ' CG2' ' A' ' 53' ' ' ILE . 28.8 mt -92.37 150.95 20.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.77 113.13 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -45.58 143.68 3.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' LYS . 23.0 t-20 -49.4 137.74 14.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' CE ' ' O ' ' A' ' 115' ' ' ASN . 57.1 mttm -35.44 -52.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.68 108.54 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -47.07 -55.96 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -40.28 -36.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -90.02 96.61 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.0 mmm -76.03 125.68 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.02 144.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.46 ' CG2' HD21 ' A' ' 42' ' ' LEU . 22.4 mt -108.92 120.13 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 79.7 m-85 -113.96 178.68 4.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -119.97 95.52 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 m -94.27 17.54 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.45 145.8 6.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.404 HD11 ' C ' ' A' ' 71' ' ' ARG . 97.5 mt -134.82 97.06 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -39.05 125.4 1.26 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.672 0.748 . . . . 0.0 110.832 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -17.58 37.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -95.92 -14.36 23.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.87 173.39 55.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -36.83 9.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.278 . . . . 0.0 112.319 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.41 -34.0 66.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.22 -37.78 66.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.64 84.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.416 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 6.6 t70 -66.33 -51.39 57.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.49 -20.8 38.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.416 ' CG ' ' OD2' ' A' ' 67' ' ' ASP . 7.7 mmt180 -62.36 -50.58 71.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.565 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 9.9 mtp -68.36 144.04 54.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.404 ' C ' HD11 ' A' ' 58' ' ' ILE . 13.3 mmt180 -142.73 178.86 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.6 mm -77.61 122.0 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 124.61 -26.32 5.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.416 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 81.9 m-20 -48.55 155.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.299 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 66.7 tt0 -128.19 95.66 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.0 mt -51.56 113.41 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.484 HD12 ' CG ' ' A' ' 19' ' ' TYR . 12.7 mt -94.93 -45.29 7.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -141.76 156.02 45.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.471 ' O ' ' N ' ' A' ' 82' ' ' GLN . 89.8 mt -152.75 140.31 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.454 ' N ' HG22 ' A' ' 79' ' ' ILE . 17.6 t-20 37.99 40.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 68.28 41.99 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' ILE . 5.6 mm100 -144.68 113.16 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.6 mt -70.71 126.48 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.6 mt -95.53 -24.37 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -45.63 104.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 118.76 -38.36 2.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.5 mtt-85 -77.6 176.22 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.6 m -91.27 146.64 23.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -50.17 -38.72 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.406 ' HG3' ' C ' ' A' ' 124' ' ' GLY . 10.0 mm100 -51.27 -42.25 60.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -65.12 -46.57 80.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -38.85 -64.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.0 p -49.8 -37.81 31.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -58.94 -43.76 91.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.044 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 67.7 mt -63.33 -41.45 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.8 mt -65.27 -46.56 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -52.78 -43.0 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 80.5 p -76.26 -26.87 56.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -65.96 155.79 85.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.569 0.699 . . . . 0.0 111.127 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 176.26 7.07 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.9 m -47.29 -58.97 3.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -81.61 117.19 21.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 21.8 t -126.72 147.98 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -101.67 122.91 44.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.438 ' CD1' HD11 ' A' ' 31' ' ' LEU . 11.9 mt -111.79 120.59 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 97.7 t -111.09 99.94 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.565 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 26.0 p90 -123.89 176.86 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 6.2 tt -121.52 125.68 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -80.0 87.07 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -116.08 114.75 24.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.415 ' O ' ' CG2' ' A' ' 114' ' ' VAL . 2.8 pp20? -65.08 -27.08 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.3 -28.83 64.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.23 -36.84 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.453 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 26.7 m -43.05 -39.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . 0.459 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 28.8 m-80 -83.08 -42.95 16.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -57.62 -62.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.492 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 26.0 ptt? -48.56 143.69 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.41 ' HB3' ' N ' ' A' ' 46' ' ' LYS . . . -88.37 98.83 11.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.6 t -50.33 163.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.85 88.61 0.51 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 116.59 4.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.649 2.233 . . . . 0.0 112.328 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.9 p -81.25 151.54 28.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 59.5 m -98.05 82.42 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.406 ' C ' ' HG3' ' A' ' 90' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m -56.4 110.17 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -69.47 120.69 15.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.44 135.28 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -72.11 163.74 27.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -93.48 -52.5 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.41 93.27 0.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -95.75 38.21 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.337 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.68 -3.66 58.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -105.15 25.8 10.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' ASP . 62.7 p -87.19 140.03 29.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -34.44 -61.88 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -44.35 -44.72 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' THR . 6.2 mmpt? -70.97 -37.57 72.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.26 -54.11 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -59.75 -41.41 90.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -72.84 -31.26 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.3 ttm-85 -69.35 -40.05 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -108.15 14.13 25.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.36 -18.41 64.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -73.79 -29.39 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.6 mt -52.37 151.71 7.08 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -49.3 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' C ' HD12 ' A' ' 108' ' ' ILE . . . -66.27 -177.47 7.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -107.93 124.76 50.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.8 tp -62.29 130.1 43.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -131.11 100.84 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 40.2 mt -93.15 120.54 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.413 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 33.5 pt -133.57 143.02 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -97.88 113.1 24.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 21.5 mt -113.86 120.26 40.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -78.64 124.95 28.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -51.42 112.81 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' ASN . 20.7 t70 -71.25 175.69 5.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 24.0 tptp -34.35 -34.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' ASP . 8.9 t-20 -105.72 -31.01 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 122.71 -157.09 17.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.8 mt -84.17 95.75 8.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.361 . . . . 0.0 110.939 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.6 106.34 2.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' CD2' HG12 ' A' ' 58' ' ' ILE . 28.5 mt -146.75 135.46 22.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.5 m -87.29 125.59 34.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.9 mt -112.53 147.64 36.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.75 133.83 15.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.92 155.73 41.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' LYS . 34.2 t-20 -63.1 142.13 58.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' ASN . 29.7 mttp -34.23 -51.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -86.61 108.28 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -44.24 -53.34 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 m -40.09 -34.29 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -89.58 102.97 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.1 tpp -84.08 104.23 13.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -147.3 148.66 31.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.7 mt -110.85 121.3 63.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 79.1 m-85 -117.77 173.26 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.432 HG22 ' CE ' ' A' ' 70' ' ' MET . 87.6 t -115.06 87.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.468 ' CG1' ' HA ' ' A' ' 119' ' ' SER . 3.0 m -87.06 24.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.07 144.73 4.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.432 HG12 ' CD2' ' A' ' 40' ' ' LEU . 91.2 mt -132.41 110.38 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.43 ' OD1' ' CG ' ' A' ' 61' ' ' GLU . 4.2 t-20 -47.8 121.77 8.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -27.54 26.05 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.43 ' CG ' ' OD1' ' A' ' 59' ' ' ASN . 11.9 pt-20 -91.18 -10.87 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.39 -178.7 52.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.429 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 54.0 Cg_endo -69.72 -46.3 1.29 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.46 -43.11 11.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -69.83 -50.67 40.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.063 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.62 -51.29 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -57.99 -44.75 87.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.52 42.63 21.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' ' NH2' ' A' ' 109' ' ' ARG . 3.4 mmp_? -121.49 -50.23 2.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.532 ' HG2' ' CE2' ' A' ' 107' ' ' PHE . 18.5 mtp -67.13 137.46 56.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -128.13 172.88 10.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.8 mm -77.16 119.16 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.79 -19.28 6.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.481 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.483 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 66.2 m-20 -58.68 136.95 57.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 29.8 tt0 -108.48 95.74 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -46.49 140.53 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -123.76 -41.49 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -143.8 152.91 41.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 67.6 mt -153.55 121.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 58.91 33.11 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 73.54 39.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -139.86 114.52 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.3 mt -70.83 126.81 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.8 mt -98.59 -24.86 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -42.93 105.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.02 24.13 7.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -137.73 168.22 20.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.765 0.317 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.5 p -79.54 147.43 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -57.09 -33.22 67.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -59.92 -36.46 77.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 68.5 m-20 -65.83 -46.72 77.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.88 -60.21 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.7 t -47.73 -43.62 27.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.31 72.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 71.2 mt -54.72 -40.95 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 58.1 mt -64.13 -47.37 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -50.34 -44.1 54.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.0 p -75.68 -24.97 56.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.49 151.75 96.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.711 . . . . 0.0 111.058 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.9 Cg_endo -69.76 168.33 21.89 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' PRO . 8.2 m -38.05 -62.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.59 118.12 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.57 141.85 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 38.3 tttp -98.75 109.95 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 mt -97.59 138.87 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 67.0 t -127.76 104.23 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.532 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 46.8 p90 -129.81 173.12 10.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 24' ' ' GLY . 10.2 tt -117.17 144.25 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 69' ' ' ARG . 26.2 ttm180 -99.84 83.13 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -105.35 107.94 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.03 -16.77 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -89.52 -14.2 35.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -67.21 -46.0 75.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 27.1 m -42.77 -28.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -83.27 -35.37 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 113' ' ' ALA . 68.4 mt-30 -72.88 -47.45 45.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.511 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.63 120.14 6.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.33 -45.18 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.468 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 1.0 OUTLIER 74.44 33.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.773 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -140.53 89.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.71 3.29 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.704 2.27 . . . . 0.0 112.351 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.1 p -41.37 137.03 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.0 t -46.81 113.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.499 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -164.51 137.47 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.884 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -80.06 153.33 28.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.8 -174.94 24.0 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.533 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 t -121.82 150.88 41.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.83 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 p -46.56 -52.06 14.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.95 95.08 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.7 26.35 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.339 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.93 3.97 7.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -116.25 17.63 15.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 12' ' ' ASP . 27.5 p -75.44 135.33 40.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.443 ' C ' ' O ' ' A' ' 11' ' ' THR . 1.1 m-20 -34.73 -40.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.53 -51.48 67.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' THR . 15.4 mmtp -70.04 -21.02 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 57.9 mt -77.93 -53.94 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 20' ' ' ALA . 11.9 ptm180 -58.78 -35.69 73.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -75.7 -35.18 60.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.476 ' HG2' ' CD2' ' A' ' 19' ' ' TYR . 2.9 ttp-105 -68.9 -43.22 75.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 18' ' ' ARG . 86.7 m-85 -103.56 16.72 25.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 16' ' ' ARG . . . -68.76 -23.16 64.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -72.1 -24.21 61.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.2 mt -55.49 151.21 21.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.734 . . . . 0.0 110.892 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.722 2.281 . . . . 0.0 112.298 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -66.03 -169.54 3.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.402 ' C ' HG13 ' A' ' 108' ' ' ILE . 6.1 tt0 -113.94 126.97 55.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 tp -69.21 134.51 49.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -136.04 107.7 7.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.2 mt -98.76 120.55 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.446 ' CD1' ' HG3' ' A' ' 70' ' ' MET . 35.7 pt -137.96 141.37 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -92.37 115.24 27.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 105' ' ' LEU . 25.6 mt -108.68 119.08 38.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -83.21 111.36 18.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -39.46 120.12 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 36' ' ' ASN . 14.2 t0 -84.69 -175.79 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' ASP . 7.0 ptmm? -35.59 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' ASP . 39.6 m-20 -116.55 -13.82 10.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 98.85 -166.53 21.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 mt -68.14 105.33 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.965 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.4 117.01 5.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -150.35 136.74 18.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.8 m -85.59 107.35 17.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.441 HD22 ' CG2' ' A' ' 53' ' ' ILE . 25.3 mt -96.84 146.6 24.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 118' ' ' ALA . . . -149.8 114.54 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -47.6 148.82 3.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -47.09 145.19 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -46.42 -49.52 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.63 114.62 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.463 ' HA ' ' CZ ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -50.71 -50.16 55.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' ARG . 2.0 m -36.93 -37.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -87.87 151.53 22.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.63 119.16 22.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -170.22 167.03 8.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.897 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.441 ' CG2' HD22 ' A' ' 42' ' ' LEU . 47.7 mt -116.17 133.02 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.549 ' CD1' ' HB2' ' A' ' 75' ' ' GLU . 75.3 m-85 -129.36 168.89 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 94.7 t -115.64 90.04 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.1 m -88.01 20.52 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.66 152.42 8.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -134.56 98.86 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 19.2 t30 -40.11 122.51 1.63 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -8.01 22.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -102.79 -14.94 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.06 176.86 50.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -41.83 3.88 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.4 -35.07 17.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.73 -33.35 46.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.92 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -66.96 -50.7 61.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.61 -22.03 35.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -41.65 96.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.478 ' HG2' ' CZ ' ' A' ' 107' ' ' PHE . 6.0 mtp -72.61 137.02 45.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -134.13 174.81 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.7 mm -75.01 121.1 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.25 -17.59 8.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.494 ' OD2' ' CE1' ' A' ' 107' ' ' PHE . 98.9 m-20 -58.48 125.1 21.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.549 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 47.1 tt0 -101.1 101.33 12.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 97.7 mt -49.77 144.61 6.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.5 mt -123.7 -41.78 2.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.412 ' C ' HG13 ' A' ' 79' ' ' ILE . 64.4 mt-10 -147.14 156.38 42.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.412 HG13 ' C ' ' A' ' 78' ' ' GLU . 85.8 mt -152.85 136.31 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 40.85 35.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 73.55 48.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -145.63 109.08 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.9 mt -68.1 124.81 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.547 ' CD2' ' CD1' ' A' ' 95' ' ' ILE . 11.2 mt -98.3 -22.23 16.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -46.73 97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 114.51 23.3 4.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -137.71 179.94 6.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.319 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -91.94 155.29 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.519 ' CE1' ' HG2' ' A' ' 90' ' ' GLN . 27.9 p80 -60.71 -34.46 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . 0.519 ' HG2' ' CE1' ' A' ' 89' ' ' HIS . 14.0 mm100 -56.21 -32.14 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -68.23 -46.86 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.76 -69.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.7 p -39.4 -44.72 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.92 -46.02 85.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ILE . . . . . 0.547 ' CD1' ' CD2' ' A' ' 84' ' ' LEU . 53.2 mt -58.1 -42.53 83.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.82 -46.51 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -52.01 -43.77 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.2 p -72.96 -24.8 60.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.22 153.77 92.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 111.101 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -168.81 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.1 p -54.52 -59.78 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -83.18 106.16 14.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.9 t -112.47 128.75 68.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 22.9 tttp -79.64 124.42 28.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 31' ' ' LEU . 11.6 mt -117.47 117.87 30.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.0 t -112.0 106.89 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.494 ' CE1' ' OD2' ' A' ' 74' ' ' ASP . 41.6 p90 -130.7 177.89 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.402 HG13 ' C ' ' A' ' 25' ' ' GLU . 8.0 tt -128.75 122.15 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -86.38 111.27 20.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -127.07 161.34 28.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -89.57 -22.39 22.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -83.67 -23.91 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.66 -32.23 63.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 21.5 m -68.28 -25.65 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -95.34 -12.89 25.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -94.22 -62.29 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.513 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 23.1 ptt? -47.26 138.6 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.464 ' O ' ' CB ' ' A' ' 43' ' ' ALA . . . -84.29 100.12 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.6 t -60.22 114.79 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 129.97 88.9 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.35 3.59 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.7 t -113.59 102.71 10.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 t -58.41 -54.87 42.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.917 0.389 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 p -74.36 139.12 43.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.96 -57.51 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -46.59 -41.16 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -75.85 -34.19 60.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.595 HG22 HD21 ' A' ' 26' ' ' LEU . 86.9 mt -65.58 -49.48 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.699 ' HA ' HD22 ' A' ' 26' ' ' LEU . 24.8 ptt180 -64.31 -39.52 94.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -74.69 -29.53 61.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -70.13 -39.26 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CG ' HD13 ' A' ' 77' ' ' LEU . 80.1 m-85 -107.06 12.35 28.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.7 -19.88 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.48 -29.73 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.44 ' HB3' HD13 ' A' ' 108' ' ' ILE . 28.4 mt -55.56 151.26 21.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.22 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.368 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.79 -166.95 0.32 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -121.59 122.06 38.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.5 tp -56.52 129.28 40.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -128.27 100.18 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.7 mt -95.56 110.38 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.933 HD11 ' HG3' ' A' ' 70' ' ' MET . 38.3 pt -129.36 138.48 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -94.85 119.47 33.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 64' ' ' ALA . 57.2 mt -117.79 120.21 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -75.51 113.54 13.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -41.37 128.86 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 36' ' ' ASN . 20.4 t70 -87.9 175.84 7.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 34' ' ' ASP . 48.3 mtmt -34.24 -34.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' ASP . 3.7 t30 -106.52 -27.96 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 112.76 -167.32 12.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.696 HD23 ' HG3' ' A' ' 63' ' ' PRO . 20.0 mt -69.27 86.14 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.01 98.37 1.71 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.514 HD21 ' CB ' ' A' ' 64' ' ' ALA . 9.3 mt -136.96 136.77 38.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -83.07 114.75 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.428 HD22 HG22 ' A' ' 53' ' ' ILE . 43.3 mt -103.5 151.18 23.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.5 136.83 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.0 168.96 28.06 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' LYS . 23.4 t-20 -71.99 145.99 47.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' ASN . 46.4 mttm -35.05 -51.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -92.9 117.35 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -46.04 -52.16 12.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.9 m -42.28 -35.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -89.43 113.18 24.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.4 mmm -92.83 127.63 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -175.02 129.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.428 HG22 HD22 ' A' ' 42' ' ' LEU . 16.5 mt -92.56 114.02 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 117' ' ' MET . 62.9 m-85 -108.47 163.28 13.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 72' ' ' ILE . 57.9 t -105.75 96.89 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.438 HG12 ' SD ' ' A' ' 117' ' ' MET . 10.0 m -95.18 19.57 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.4 150.02 7.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 59' ' ' ASN . 93.8 mt -133.63 95.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 58' ' ' ILE . 41.3 t30 -37.71 120.64 0.95 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.649 0.738 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -5.75 16.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -104.62 -14.9 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.2 -178.32 52.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.696 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.4 Cg_endo -69.79 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.328 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.514 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -43.84 -34.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -76.25 -44.09 39.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.88 76.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -58.59 -44.69 89.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.97 33.28 41.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -110.53 -51.38 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.933 ' HG3' HD11 ' A' ' 29' ' ' ILE . 13.4 mtp -65.92 144.98 56.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -136.35 175.83 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 55' ' ' VAL . 9.2 mm -78.12 124.55 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.46 ' HA2' ' CE ' ' A' ' 117' ' ' MET . . . 122.51 -17.87 8.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.548 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 72.9 m-20 -59.63 141.27 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.484 ' HB3' HG22 ' A' ' 108' ' ' ILE . 39.3 tt0 -113.36 95.32 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' A' ' 107' ' ' PHE . 79.0 mt -48.59 139.44 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.562 HD13 ' CG ' ' A' ' 19' ' ' TYR . 27.2 mt -123.45 -40.74 2.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -147.58 151.75 36.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.632 HG13 HD11 ' A' ' 84' ' ' LEU . 24.0 mt -149.95 117.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.081 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 60.41 44.36 12.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 63.58 44.05 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -145.48 111.76 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.7 mt -68.81 130.6 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.632 HD11 HG13 ' A' ' 79' ' ' ILE . 9.3 mt -102.01 -23.61 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -42.86 109.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.96 -39.03 2.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -74.82 165.91 24.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.8 m -83.81 141.14 31.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 21.2 p80 -39.92 -42.02 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.563 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 38.3 mt-30 -49.16 -44.68 42.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -57.93 -53.49 57.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 95' ' ' ILE . . . -39.29 -60.45 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.066 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.0 p -48.42 -45.78 36.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.58 74.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.504 HD12 ' CD2' ' A' ' 84' ' ' LEU . 40.2 mt -56.44 -44.16 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.48 -43.93 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -53.14 -44.82 68.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.1 p -75.84 -24.8 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.43 150.34 97.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.8 Cg_endo -69.72 170.5 16.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' PRO . 1.1 t -36.98 -59.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -80.16 126.25 30.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.78 129.32 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -87.16 113.93 23.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 38' ' ' LEU . 6.0 mt -100.5 123.2 44.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 15' ' ' ILE . 88.5 t -115.26 101.0 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.569 ' HB3' HD23 ' A' ' 76' ' ' LEU . 17.8 p90 -126.54 -178.18 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.484 HG22 ' HB3' ' A' ' 75' ' ' GLU . 7.2 tt -124.91 145.38 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 -106.41 112.07 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -133.98 122.87 23.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -10.45 21.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.82 -19.11 19.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -50.37 -51.64 44.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 29.0 m -47.3 -30.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -81.52 -26.59 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' ALA . 61.0 mt-30 -81.65 -54.01 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.526 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -42.68 165.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.91 0.386 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' LYS . 40.4 p -73.65 141.65 46.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.26 -55.37 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -50.88 -36.43 37.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' THR . 53.2 mmtt -76.82 -37.69 55.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.572 HG22 HD21 ' A' ' 26' ' ' LEU . 79.9 mt -65.22 -53.15 43.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.758 ' HA ' HD22 ' A' ' 26' ' ' LEU . 13.2 ptm180 -59.4 -31.76 69.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -83.49 -29.29 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -71.24 -41.39 70.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.831 ' CE1' HD22 ' A' ' 77' ' ' LEU . 83.0 m-85 -103.21 13.07 34.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.2 -25.31 68.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.086 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.04 -24.51 64.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.6 ' HB3' HD13 ' A' ' 108' ' ' ILE . 21.5 mt -56.25 152.55 22.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.63 0.728 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.44 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.691 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -68.47 -167.54 4.51 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -115.16 127.68 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.758 HD22 ' HA ' ' A' ' 16' ' ' ARG . 6.6 tp -64.34 128.72 37.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -132.94 105.59 7.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.667 HG12 HG22 ' A' ' 106' ' ' VAL . 17.1 mt -98.11 117.01 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.971 HD11 ' HG3' ' A' ' 70' ' ' MET . 47.7 pt -131.88 137.51 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -94.19 120.96 35.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 64' ' ' ALA . 35.6 mt -120.32 119.75 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -75.67 116.75 16.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HA ' HD23 ' A' ' 38' ' ' LEU . 14.3 mtmt -44.09 122.41 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' GLY . 24.7 t0 -78.19 176.06 9.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 24.7 ttpt -34.39 -37.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' ASP . 34.7 m120 -103.18 -25.73 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 107.73 170.68 21.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD12 HD13 ' A' ' 96' ' ' ILE . 5.2 mt -42.67 112.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.36 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.49 103.38 2.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 64' ' ' ALA . 6.7 mt -146.72 135.53 22.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.3 m -87.36 115.58 24.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 mt -100.81 152.22 20.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -153.9 139.04 17.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.35 158.69 48.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 38.1 t-20 -60.86 146.27 47.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 38.3 mttm -34.46 -48.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -91.58 106.21 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.4 tpt180 -43.53 -53.49 5.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ARG . 32.7 t -35.27 -39.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -80.66 138.4 36.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.0 tpp -108.69 102.83 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -151.46 149.14 28.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.794 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.408 HD13 ' HB2' ' A' ' 92' ' ' ALA . 19.9 mt -113.15 135.34 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.524 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 76.6 m-85 -132.09 178.81 6.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.539 HG21 ' HE2' ' A' ' 70' ' ' MET . 56.0 t -118.39 88.34 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.9 m -87.17 22.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.83 150.22 7.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ASN . 83.8 mt -131.99 93.92 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.114 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' ILE . 37.7 t30 -34.92 118.83 0.57 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -6.25 18.11 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.384 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -108.71 -8.9 15.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.09 177.28 49.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -38.78 7.19 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -53.64 -36.67 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -74.02 -40.81 62.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.81 -54.47 46.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.61 -42.18 64.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.97 41.57 40.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -121.76 -52.01 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.971 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.9 mtp -60.77 137.56 58.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -123.73 174.26 7.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 55' ' ' VAL . 12.0 mm -79.7 128.21 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.04 -27.8 7.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 67.1 m-20 -46.67 140.62 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 25.0 tt0 -110.93 101.61 10.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 79' ' ' ILE . 94.5 mt -52.18 135.39 32.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.831 HD22 ' CE1' ' A' ' 19' ' ' TYR . 16.7 mt -117.39 -45.36 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -141.97 152.86 43.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.524 HD11 HD13 ' A' ' 76' ' ' LEU . 50.6 mt -153.67 134.83 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 34.6 t30 45.16 37.43 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 m120 67.96 46.66 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -147.41 106.5 3.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.7 mt -65.14 124.95 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.483 ' CD2' HD12 ' A' ' 95' ' ' ILE . 11.5 mt -92.4 -33.03 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LEU . 54.7 t80 -35.79 98.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.99 14.37 7.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -129.88 172.7 11.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -89.16 149.01 23.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -53.22 -28.35 26.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -64.38 -37.03 86.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.401 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 22.9 m-20 -69.58 -43.52 72.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -44.97 -59.26 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.5 p -52.9 -41.24 64.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -55.8 -43.57 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.483 HD12 ' CD2' ' A' ' 84' ' ' LEU . 61.5 mt -62.32 -42.17 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.528 HD13 HD12 ' A' ' 38' ' ' LEU . 71.6 mt -63.94 -44.43 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -53.91 -42.92 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.3 p -74.89 -24.73 58.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.38 151.8 95.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.097 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 172.44 12.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.36 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -40.32 -65.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -73.67 115.33 12.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 36.2 t -125.17 143.95 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.596 ' HE3' HG21 ' A' ' 28' ' ' ILE . 50.1 tttt -101.86 118.0 36.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mt -106.35 130.28 54.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.667 HG22 HG12 ' A' ' 28' ' ' ILE . 90.2 t -119.81 99.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 35.5 p90 -128.34 168.71 15.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.691 HD11 ' C ' ' A' ' 24' ' ' GLY . 5.5 tt -116.73 131.47 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -87.55 85.72 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 113' ' ' ALA . 30.5 t-20 -103.99 123.96 48.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.73 ' O ' HG22 ' A' ' 114' ' ' VAL . 12.6 pt-20 -59.63 -40.86 88.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.77 -22.04 66.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -49.74 -56.33 10.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 111' ' ' GLU . 34.6 m -43.12 -37.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -70.87 -32.57 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' ALA . 93.0 mm-40 -75.2 -65.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.524 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -42.1 128.33 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.965 0.412 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.5 p -83.91 144.29 29.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -64.21 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -41.79 -40.43 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -74.45 -36.52 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.39 -49.11 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.643 ' HA ' HD22 ' A' ' 26' ' ' LEU . 22.2 ptt180 -64.08 -41.32 97.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -73.44 -27.5 61.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -73.02 -39.52 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.552 ' CE1' HD22 ' A' ' 77' ' ' LEU . 78.6 m-85 -105.58 13.15 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.68 -21.13 66.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.62 -27.11 61.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.555 ' HB3' HD13 ' A' ' 108' ' ' ILE . 27.1 mt -54.18 152.03 11.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -49.83 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.315 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.719 ' O ' HD11 ' A' ' 108' ' ' ILE . . . -69.17 -177.82 17.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -104.66 132.95 50.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' ' 16' ' ' ARG . 6.1 tp -67.5 131.36 45.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -132.81 95.21 3.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.575 HG21 ' HE3' ' A' ' 104' ' ' LYS . 37.6 mt -91.59 109.07 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.885 HD11 ' HG3' ' A' ' 70' ' ' MET . 29.5 pt -123.77 139.38 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -91.36 120.6 32.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.481 HD12 ' CD1' ' A' ' 105' ' ' LEU . 58.4 mt -117.5 131.69 56.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.43 120.64 33.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' HD3' HG22 ' A' ' 96' ' ' ILE . 14.6 mtmt -48.33 113.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -71.59 179.17 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -42.22 -28.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -111.88 -14.87 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 97.32 169.31 33.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.733 HD13 HD11 ' A' ' 105' ' ' LEU . 11.9 mt -48.41 121.35 4.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.407 ' C ' ' HG ' ' A' ' 40' ' ' LEU . . . -110.6 113.21 3.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.495 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.6 mt -148.83 138.94 22.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.809 0.337 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -88.47 101.81 14.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 mt -89.73 153.86 20.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.93 122.69 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -56.72 138.31 47.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.523 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' GLY . 28.8 t-20 -34.87 149.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.719 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 61.2 mttm -46.74 -42.51 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.54 121.87 30.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -56.5 -48.33 77.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.1 m -48.17 -28.78 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 -73.4 155.09 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 tpt -135.0 93.28 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.6 162.41 32.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.0 mt -113.09 133.86 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.533 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 67.1 m-85 -132.08 163.24 28.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.2 t -109.25 106.47 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.867 HG11 ' O ' ' A' ' 118' ' ' ALA . 14.1 m -100.96 5.41 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.26 149.77 11.52 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.419 HG13 ' CD1' ' A' ' 72' ' ' ILE . 81.4 mt -132.43 103.63 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -44.65 121.45 4.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.601 0.715 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -11.44 30.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -100.45 -17.2 17.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.7 175.62 54.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -38.14 8.32 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.495 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -51.64 -32.59 29.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.42 -35.1 58.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.05 93.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -62.76 -52.47 63.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.26 -15.65 57.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -40.51 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.885 ' HG3' HD11 ' A' ' 29' ' ' ILE . 5.5 mtp -72.03 136.36 46.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -132.93 171.04 14.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.419 ' CD1' HG13 ' A' ' 58' ' ' ILE . 5.9 mm -74.42 120.2 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.7 -16.54 6.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.541 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.3 m-20 -54.12 153.66 4.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.75 0.309 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -126.0 95.5 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.8 mt -51.05 128.21 21.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' A' ' 19' ' ' TYR . 12.2 mt -109.03 -44.12 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -146.61 154.73 41.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.543 HG12 HD23 ' A' ' 105' ' ' LEU . 89.1 mt -150.86 143.07 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' ILE . 29.8 t30 35.1 50.03 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m120 58.04 54.27 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -156.9 105.24 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.87 129.18 28.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 79' ' ' ILE . 9.1 mt -97.43 -30.67 12.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' LEU . 48.2 t80 -36.12 100.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.98 26.55 4.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -135.83 -176.19 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -101.71 142.93 32.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -50.01 -27.03 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -61.91 -33.18 73.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -68.8 -54.37 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -37.94 -57.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.4 t -51.77 -42.14 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.42 94.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.496 HD12 ' CD2' ' A' ' 84' ' ' LEU . 92.7 mt -59.73 -42.69 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.438 HG22 ' HD3' ' A' ' 33' ' ' LYS . 66.5 mt -64.57 -45.41 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.16 -44.81 68.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.9 p -73.86 -26.49 60.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.21 153.57 94.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 171.49 14.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 m -40.66 -59.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -81.63 113.43 19.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.3 t -122.32 148.76 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.575 ' HE3' HG21 ' A' ' 28' ' ' ILE . 79.4 tttt -103.25 130.78 50.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.733 HD11 HD13 ' A' ' 38' ' ' LEU . 9.8 mt -120.58 120.08 34.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.528 HG22 HG12 ' A' ' 28' ' ' ILE . 96.1 t -112.13 102.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.556 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 31.2 p90 -128.94 172.99 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.719 HD11 ' O ' ' A' ' 24' ' ' GLY . 8.0 tt -120.47 134.76 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -92.7 83.39 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -102.18 113.8 27.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.76 ' O ' HG22 ' A' ' 114' ' ' VAL . 16.5 pt-20 -52.61 -33.56 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -26.57 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -49.91 -53.64 24.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.4 m -41.9 -29.18 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -84.36 -43.09 15.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -68.1 -61.24 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.533 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 13.3 ptt? -46.64 152.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.867 ' O ' HG11 ' A' ' 56' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.936 0.398 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' ASP . 23.8 p -81.36 138.29 35.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.8 t70 -37.5 -62.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' ASP . 15.6 pt20 -38.13 -40.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -79.8 -36.84 36.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.707 HG21 HG11 ' A' ' 106' ' ' VAL . 77.6 mt -62.98 -49.72 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.749 ' HA ' HD22 ' A' ' 26' ' ' LEU . 12.1 ptt85 -59.84 -43.62 94.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -73.57 -27.91 61.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -71.73 -42.77 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -104.49 17.97 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -66.56 -21.41 66.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -68.21 -31.81 71.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HB3' HD13 ' A' ' 108' ' ' ILE . 33.8 mt -50.58 151.67 3.89 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.722 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.254 . . . . 0.0 112.329 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.76 -157.06 0.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.531 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -127.98 130.27 48.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.749 HD22 ' HA ' ' A' ' 16' ' ' ARG . 6.1 tp -66.58 129.23 39.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -133.73 102.5 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.745 HG21 ' HE3' ' A' ' 104' ' ' LYS . 33.7 mt -94.9 111.05 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.859 HD12 HD21 ' A' ' 31' ' ' LEU . 29.3 pt -121.19 143.64 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -98.91 116.98 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.859 HD21 HD12 ' A' ' 29' ' ' ILE . 16.8 mt -118.39 123.01 44.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' LYS . 8.6 tt0 -83.37 111.14 18.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' GLU . 6.1 mtmp? -35.05 122.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.5 t70 -80.23 178.37 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.8 mtpt -36.49 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' ASP . 6.5 m-80 -108.81 -36.01 6.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.0 -171.99 18.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.698 HD23 ' HG3' ' A' ' 63' ' ' PRO . 14.6 mt -69.35 85.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.55 106.75 2.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.6 mt -144.78 133.88 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -83.31 115.19 21.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.62 144.17 33.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.94 118.99 6.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -45.27 160.14 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.1 t-20 -59.98 144.96 47.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 44.8 mttm -37.0 -49.42 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -85.4 108.76 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 49' ' ' SER . 7.4 tpt180 -46.46 -53.01 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' ARG . 17.5 m -37.3 -38.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -80.95 143.68 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.7 tpt -117.56 95.09 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -148.73 145.49 27.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.491 HD13 ' HB2' ' A' ' 92' ' ' ALA . 45.0 mt -101.96 139.82 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.54 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 79.9 m-85 -136.4 176.27 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.545 HG21 ' CE ' ' A' ' 70' ' ' MET . 84.5 t -120.32 105.96 17.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.601 ' HA ' ' HE3' ' A' ' 117' ' ' MET . 5.2 m -102.81 9.44 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.39 153.79 17.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.4 mt -134.68 97.62 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.352 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -43.48 122.2 3.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.714 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.49 18.75 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.731 2.287 . . . . 0.0 112.309 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -101.28 -15.65 17.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.36 179.55 52.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.538 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.698 ' HG3' HD23 ' A' ' 38' ' ' LEU . 54.2 Cg_endo -69.8 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.38 -36.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.37 -39.94 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.13 -47.44 77.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -61.01 -41.37 96.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.85 41.83 27.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -117.08 -60.05 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.711 ' HG3' HD11 ' A' ' 29' ' ' ILE . 8.4 mtp -57.54 151.39 16.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -139.26 176.47 8.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.2 mm -81.64 118.6 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.59 -21.24 6.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -53.23 158.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.501 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 33.8 tt0 -130.29 98.27 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.722 HD13 HD11 ' A' ' 79' ' ' ILE . 95.1 mt -51.74 131.36 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.2 mt -113.08 -40.42 3.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -147.34 150.59 35.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.722 HD11 HD13 ' A' ' 76' ' ' LEU . 41.1 mt -149.83 131.36 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.8 t30 49.3 38.59 14.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 67.58 49.93 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -150.89 105.27 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.3 mt -64.23 125.7 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' GLY . 11.9 mt -94.39 -26.06 16.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -40.14 94.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 114.69 30.1 2.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -140.7 174.45 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.6 p -92.49 141.8 28.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.471 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 22.3 p80 -48.03 -41.27 25.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.471 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 80.0 mt-30 -51.33 -36.93 45.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -68.71 -47.86 65.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.491 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -43.35 -55.12 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -52.46 -41.03 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.92 87.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.431 HD12 ' CD2' ' A' ' 84' ' ' LEU . 82.7 mt -58.66 -43.06 86.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.422 HD13 HD12 ' A' ' 38' ' ' LEU . 86.0 mt -63.79 -44.51 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -53.53 -43.77 68.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.1 p -75.07 -27.18 59.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.14 150.94 97.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.8 Cg_endo -69.74 168.6 21.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 100' ' ' PRO . 2.1 m -34.89 -59.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -82.64 119.05 23.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.0 t -127.03 133.5 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.745 ' HE3' HG21 ' A' ' 28' ' ' ILE . 14.1 tttp -87.29 119.96 28.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.808 ' CD1' HD12 ' A' ' 31' ' ' LEU . 6.6 mt -109.38 121.6 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.707 HG11 HG21 ' A' ' 15' ' ' ILE . 89.3 t -114.01 103.56 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 33.5 p90 -130.64 179.67 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.457 HD13 ' HB3' ' A' ' 22' ' ' LEU . 10.1 tt -123.56 133.56 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 tpp85 -90.91 89.43 7.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 112' ' ' ASP . 24.8 t-20 -115.47 107.41 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.895 ' O ' HG22 ' A' ' 114' ' ' VAL . 14.3 pt-20 -51.31 -39.0 55.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 30.8 t0 -62.15 -28.37 69.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.46 -43.77 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.895 HG22 ' O ' ' A' ' 111' ' ' GLU . 35.0 m -41.92 -34.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -82.71 -41.79 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -61.37 -63.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.601 ' HE3' ' HA ' ' A' ' 56' ' ' VAL . 22.6 ptt? -48.9 145.89 3.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.6 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.55 ' O ' HD11 ' A' ' 15' ' ' ILE . 94.5 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.963 0.411 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' ASP . 20.9 p -72.78 135.96 45.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -34.33 -49.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -52.11 -50.65 61.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -70.34 -30.65 67.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.826 HG22 HD21 ' A' ' 26' ' ' LEU . 73.0 mt -65.13 -47.27 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.781 ' HA ' HD22 ' A' ' 26' ' ' LEU . 6.5 ptm180 -68.37 -36.62 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -76.63 -28.52 56.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -68.87 -45.0 72.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' HB2' HD13 ' A' ' 26' ' ' LEU . 98.5 m-85 -103.53 16.91 25.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.99 -18.17 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -73.25 -27.77 61.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.433 ' HB3' HD13 ' A' ' 108' ' ' ILE . 30.3 mt -56.29 151.62 26.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.553 0.692 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -49.65 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.55 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -65.87 -173.64 4.81 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -108.27 119.27 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.826 HD21 HG22 ' A' ' 15' ' ' ILE . 5.1 tp -60.63 128.43 36.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -127.01 109.71 12.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.31 99.6 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.821 HD11 ' HG3' ' A' ' 70' ' ' MET . 23.5 pt -116.11 138.88 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -100.56 118.01 35.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.61 HD13 ' HA ' ' A' ' 64' ' ' ALA . 33.3 mt -114.75 125.91 54.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -81.75 110.29 16.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.626 ' NZ ' HG21 ' A' ' 103' ' ' VAL . 16.2 mtmm -45.66 129.36 8.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 35' ' ' LYS . 23.4 t0 -89.78 175.75 7.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -34.23 -40.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -93.01 -40.98 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.09 178.41 15.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.614 HD13 HD11 ' A' ' 105' ' ' LEU . 28.7 mt -43.29 -49.54 6.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.57 86.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.3 mt -135.97 139.45 43.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.411 ' HB2' ' CA ' ' A' ' 57' ' ' GLY . 52.0 m -84.23 116.22 22.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.2 mt -106.88 153.55 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.88 112.18 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -44.0 133.61 6.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.5 t-20 -34.45 137.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 11.6 mtpp -33.68 -52.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' HB3' ' CG ' ' A' ' 50' ' ' ARG . 7.7 t0 -75.68 127.07 32.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -59.47 -45.42 91.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -64.04 -16.66 62.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' CG ' ' HB3' ' A' ' 47' ' ' ASP . 8.3 mmt180 -86.15 97.17 10.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.2 tpp -78.73 100.06 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 p -166.43 151.63 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 89' ' ' HIS . 66.3 mt -109.92 135.26 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 66.9 m-85 -125.87 165.6 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.446 HG21 ' CE ' ' A' ' 70' ' ' MET . 87.5 t -105.17 104.86 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.472 HG12 ' SD ' ' A' ' 117' ' ' MET . 9.2 m -104.42 20.62 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 41' ' ' SER . . . 170.27 151.99 7.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -135.66 110.54 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -46.72 122.26 7.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.723 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.5 18.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.384 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -104.95 -21.58 13.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.45 175.7 52.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.443 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -35.94 11.86 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.61 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -52.64 -30.54 32.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.49 -35.7 19.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.52 -53.32 36.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -55.73 -34.76 65.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.85 42.24 79.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB2' HD12 ' A' ' 29' ' ' ILE . 2.9 mmp_? -117.81 -58.18 2.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.821 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.2 mtp -61.71 149.2 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -138.93 174.99 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.442 HG23 ' HA ' ' A' ' 56' ' ' VAL . 5.1 mm -81.12 120.64 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . 125.01 -19.83 6.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.447 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.553 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 69.3 m-20 -59.45 130.68 48.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.777 0.322 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 43.1 tt0 -98.37 92.65 5.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.609 HD13 HD11 ' A' ' 79' ' ' ILE . 75.9 mt -44.1 136.36 3.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.454 HD13 ' CG ' ' A' ' 19' ' ' TYR . 19.7 mt -119.38 -34.84 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -151.86 153.32 33.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.609 HD11 HD13 ' A' ' 76' ' ' LEU . 52.3 mt -152.08 129.63 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.576 ' HB2' HG13 ' A' ' 103' ' ' VAL . 50.1 t30 49.59 32.52 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 74.81 44.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -144.06 105.4 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 39.1 mt -64.44 123.79 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 79' ' ' ILE . 14.9 mt -93.87 -26.83 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -41.95 94.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 119.45 13.42 6.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.2 mtt-85 -131.44 162.07 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.906 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.9 t -80.51 154.4 27.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 27.4 p80 -54.42 -42.22 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -49.41 -41.89 40.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -63.24 -48.3 78.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' HA ' HD12 ' A' ' 95' ' ' ILE . . . -44.97 -58.4 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.068 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.4 p -47.05 -47.03 22.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.69 -45.88 63.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 92' ' ' ALA . 56.7 mt -57.35 -45.94 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.476 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 95.4 mt -61.54 -47.02 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -52.63 -36.61 56.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.1 p -87.9 -23.08 24.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.04 148.97 96.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.544 0.688 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 178.47 4.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 m -50.19 -63.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -73.69 107.99 6.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.626 HG21 ' NZ ' ' A' ' 33' ' ' LYS . 17.3 t -123.47 144.56 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.435 ' HD3' ' CG2' ' A' ' 106' ' ' VAL . 5.4 ttmt -98.46 120.56 39.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 38' ' ' LEU . 10.3 mt -106.48 99.86 9.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 104' ' ' LYS . 60.5 t -92.14 108.47 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.553 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 53.1 p90 -135.33 -176.3 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.55 HD11 ' C ' ' A' ' 24' ' ' GLY . 5.9 tt -122.79 135.8 61.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 -95.45 111.58 23.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 111' ' ' GLU . 55.8 t-20 -145.31 147.79 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.717 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.9 pt-20 -84.0 -29.89 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.08 -22.58 59.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.0 65.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 111' ' ' GLU . 31.0 m -51.49 -22.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -88.33 -23.13 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -91.48 -30.16 16.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.539 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -75.87 141.67 42.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.915 0.388 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 p -75.64 144.42 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.189 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.44 -57.15 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -45.63 -35.33 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -81.01 -36.13 31.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.484 HG22 HD21 ' A' ' 26' ' ' LEU . 77.7 mt -64.18 -45.77 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.673 ' HA ' HD22 ' A' ' 26' ' ' LEU . 24.4 ptt180 -67.54 -42.32 82.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -71.4 -31.18 66.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -70.03 -41.54 74.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.496 ' CE1' HD22 ' A' ' 77' ' ' LEU . 93.8 m-85 -104.17 14.82 29.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -65.9 -20.88 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.82 -32.63 69.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.424 ' HB3' HD13 ' A' ' 108' ' ' ILE . 32.5 mt -50.84 149.55 6.12 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.452 ' HG2' ' ND2' ' A' ' 110' ' ' ASN . 53.6 Cg_endo -69.74 -49.92 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.39 -162.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -121.9 125.0 45.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.673 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.2 tp -62.33 125.99 25.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -128.08 101.88 6.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.512 HG12 HG22 ' A' ' 106' ' ' VAL . 53.4 mt -97.04 110.29 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.475 ' HB ' ' CZ ' ' A' ' 69' ' ' ARG . 11.5 pt -130.27 148.25 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.85 ' O ' HD23 ' A' ' 31' ' ' LEU . 13.9 mp0 -104.07 146.19 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.85 HD23 ' O ' ' A' ' 30' ' ' GLU . 23.0 mt -141.62 120.97 13.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -73.13 111.37 8.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -40.23 123.61 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.3 t0 -80.75 178.57 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -37.53 -28.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' ASP . 10.4 m120 -113.93 -20.2 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 105.95 -166.78 14.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.428 HD23 ' HG3' ' A' ' 63' ' ' PRO . 9.5 mt -68.98 107.98 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.92 108.35 3.66 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.421 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 58' ' ' ILE . 15.7 mt -148.11 137.34 22.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -88.0 108.56 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 mt -96.16 152.72 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.85 127.15 9.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.52 159.98 3.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -65.34 135.39 55.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 116' ' ' GLN . 14.5 mtpp -39.56 -43.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -87.56 108.5 19.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' SER . 11.2 ttm-85 -47.61 -57.24 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' ARG . 17.6 m -36.44 -37.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -85.9 154.86 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.7 tpp -131.15 101.71 5.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -148.78 150.77 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.434 HD13 ' HB2' ' A' ' 92' ' ' ALA . 30.3 mt -111.8 127.78 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.478 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 70.8 m-85 -121.08 174.51 6.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.603 HG21 ' CE ' ' A' ' 70' ' ' MET . 98.9 t -117.66 95.04 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.678 HG12 ' SD ' ' A' ' 117' ' ' MET . 10.1 m -94.56 23.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.75 147.82 6.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.468 HG12 ' CD2' ' A' ' 40' ' ' LEU . 92.3 mt -131.54 101.26 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -44.02 122.11 3.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.99 36.92 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.692 2.261 . . . . 0.0 112.38 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -93.15 -23.93 18.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.99 179.57 49.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.8 Cg_endo -69.76 -47.51 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.517 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -42.21 -32.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.93 -36.18 23.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.2 -53.48 48.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -56.8 -39.92 75.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.59 41.66 28.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.475 ' CZ ' ' HB ' ' A' ' 29' ' ' ILE . 24.0 mtm180 -118.98 -63.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.603 ' CE ' HG21 ' A' ' 55' ' ' VAL . 3.7 mtp -50.43 140.42 13.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -131.29 171.31 13.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.435 HG23 ' HA ' ' A' ' 56' ' ' VAL . 7.2 mm -76.17 128.68 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.5 -23.66 10.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.486 ' OD1' ' CE1' ' A' ' 107' ' ' PHE . 46.2 m-20 -53.74 136.59 39.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' OE2' ' CE1' ' A' ' 54' ' ' PHE . 40.7 tt0 -107.88 103.11 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.2 mt -56.12 139.31 47.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 19' ' ' TYR . 15.2 mt -122.58 -39.06 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -146.68 150.08 34.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.601 HG12 HD23 ' A' ' 105' ' ' LEU . 60.7 mt -149.96 113.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 64.75 46.01 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 62.16 43.88 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -144.81 117.84 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.19 126.84 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.52 ' CD2' HD12 ' A' ' 95' ' ' ILE . 10.7 mt -98.99 -24.92 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -40.81 99.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.26 31.33 3.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -144.39 154.17 42.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 t -70.97 139.78 50.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.558 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 20.0 p80 -41.06 -50.38 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.558 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 48.9 mt-30 -42.84 -42.15 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 6.5 m120 -58.42 -55.56 33.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.434 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -40.87 -59.61 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.0 t -47.79 -45.96 29.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -51.55 -50.15 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.52 HD12 ' CD2' ' A' ' 84' ' ' LEU . 67.6 mt -55.44 -39.91 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.23 -46.38 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -51.54 -45.39 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.0 p -77.5 -19.14 56.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.97 152.48 92.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.075 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 101' ' ' SER . 54.0 Cg_endo -69.78 166.7 26.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' PRO . 66.5 m -35.11 -57.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -82.06 122.04 27.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.1 t -129.14 128.84 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -84.92 120.92 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.601 HD23 HG12 ' A' ' 79' ' ' ILE . 7.1 mt -107.97 123.59 48.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.512 HG22 HG12 ' A' ' 28' ' ' ILE . 92.3 t -115.02 102.82 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 23.6 p90 -130.14 171.11 13.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.424 HD13 ' HB3' ' A' ' 22' ' ' LEU . 11.9 tt -116.67 138.26 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -95.35 94.81 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' ' 23' ' ' PRO . 59.7 t-20 -119.75 123.56 44.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 114' ' ' VAL . 3.2 tp10 -65.38 -11.23 40.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -96.23 -18.68 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -70.43 -18.19 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.3 m -73.32 -15.54 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -104.51 -19.48 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.452 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 75.0 mt-30 -79.52 -33.32 42.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.678 ' SD ' HG12 ' A' ' 56' ' ' VAL . 22.9 ptt? -72.59 125.99 28.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.43 ' O ' HD11 ' A' ' 15' ' ' ILE . 97.2 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.923 0.392 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' ASP . 33.1 p -60.49 135.26 57.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.471 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -34.85 -62.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -40.32 -47.8 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -68.67 -33.28 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 12' ' ' ASP . 93.8 mt -66.52 -52.02 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.806 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 13.5 ptm180 -61.95 -29.78 70.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.12 -33.34 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttm-85 -66.45 -45.89 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.679 ' CE1' HD22 ' A' ' 77' ' ' LEU . 85.0 m-85 -99.13 14.08 30.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -68.88 -7.36 33.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -86.6 -19.61 29.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.42 151.53 91.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.359 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.624 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -60.99 -169.81 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.22 132.34 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.627 HD22 ' HA ' ' A' ' 16' ' ' ARG . 5.0 tp -75.42 129.89 38.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -134.19 110.47 9.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.499 HG12 HG22 ' A' ' 106' ' ' VAL . 52.0 mt -100.59 111.53 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.925 HD11 ' HG3' ' A' ' 70' ' ' MET . 18.4 pt -123.07 149.01 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -110.22 111.8 23.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 64' ' ' ALA . 20.7 mt -109.1 129.26 55.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -83.8 112.58 20.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -39.16 132.17 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' GLY . 17.2 t70 -91.1 174.48 7.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 7.0 ttmm -34.25 -39.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -99.52 -27.64 13.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.474 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 124.19 -169.12 16.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.578 HD13 HD11 ' A' ' 105' ' ' LEU . 12.1 mt -55.93 -49.21 74.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.3 88.46 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' CD2' HG12 ' A' ' 58' ' ' ILE . 18.8 mt -142.5 136.55 29.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -83.6 128.59 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -120.33 146.84 45.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.95 120.41 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.21 158.44 3.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -56.61 147.36 22.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' CE ' ' O ' ' A' ' 115' ' ' ASN . 38.5 mttm -37.77 -44.87 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.7 111.63 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' ARG . 44.5 ttt180 -48.48 -54.83 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 48' ' ' ARG . 46.6 m -35.47 -33.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' ARG . 7.5 mtp85 -84.53 134.13 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.5 tpt -104.03 97.22 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 m -153.27 140.03 19.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.2 mt -108.85 134.21 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.508 ' CD2' ' HB3' ' A' ' 117' ' ' MET . 91.0 m-85 -124.75 -176.83 3.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.712 HG21 ' HE1' ' A' ' 70' ' ' MET . 61.2 t -124.24 94.48 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.528 HG12 ' HE3' ' A' ' 117' ' ' MET . 13.3 m -97.66 23.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.19 144.51 5.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.424 HG12 ' CD2' ' A' ' 40' ' ' LEU . 97.2 mt -132.46 103.43 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.113 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 16.2 t30 -39.19 119.0 1.19 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -9.13 25.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -105.21 -8.24 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.23 179.81 46.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.514 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.474 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.5 Cg_endo -69.78 -44.97 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.465 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -49.89 -24.61 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -87.44 -29.82 21.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.2 43.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -31.18 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.02 32.92 85.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -107.81 -54.51 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.925 ' HG3' HD11 ' A' ' 29' ' ' ILE . 8.6 mtp -68.17 138.59 55.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -130.97 169.84 15.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.516 HG23 ' HA ' ' A' ' 56' ' ' VAL . 4.6 mm -74.37 118.36 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.58 -11.27 6.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -65.03 147.44 53.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.73 102.33 9.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.7 mt -56.75 124.54 18.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.679 HD22 ' CE1' ' A' ' 19' ' ' TYR . 34.5 mt -108.34 -38.28 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -151.36 152.69 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.872 HG12 HD23 ' A' ' 105' ' ' LEU . 45.0 mt -150.5 136.75 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' ILE . 10.3 t-20 37.28 47.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.18 53.31 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -155.88 106.92 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.564 HG22 ' H ' ' A' ' 85' ' ' TYR . 55.5 mt -59.17 144.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.584 HD11 HD12 ' A' ' 79' ' ' ILE . 18.9 mt -128.46 9.07 6.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 53.7 t80 -77.82 9.35 3.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.43 21.86 1.07 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -131.93 165.14 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 t -81.71 148.14 29.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -53.33 -21.92 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -67.76 -30.0 69.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -78.63 -35.67 45.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.97 -58.17 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -51.03 -43.18 60.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.35 -49.74 73.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.6 mt -53.89 -42.6 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.94 -47.87 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -53.55 -44.47 69.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 46.0 p -78.26 -14.73 59.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.13 150.7 74.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 172.2 13.06 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.3 m -40.22 -67.44 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -73.8 111.43 8.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.7 t -118.87 132.02 69.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.425 ' HE3' HG21 ' A' ' 28' ' ' ILE . 22.6 tttt -90.77 121.04 32.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.872 HD23 HG12 ' A' ' 79' ' ' ILE . 5.9 mt -113.18 127.33 56.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.499 HG22 HG12 ' A' ' 28' ' ' ILE . 89.9 t -116.06 101.28 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 37.7 p90 -126.51 174.53 8.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.624 HD11 ' C ' ' A' ' 24' ' ' GLY . 4.6 tt -124.86 124.14 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -82.49 133.04 35.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -155.66 121.81 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 114' ' ' VAL . 55.7 tt0 -63.52 -11.3 23.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.19 -21.06 18.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.67 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 111' ' ' GLU . 19.5 m -53.23 -21.73 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.455 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 70.0 m-80 -101.16 -31.92 10.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -59.72 -46.44 89.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.528 ' HE3' HG12 ' A' ' 56' ' ' VAL . 4.6 ptt? -66.49 148.35 52.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.897 0.38 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.3 p -82.76 146.22 29.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.44 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -43.44 -47.86 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -55.63 -38.29 69.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.46 -38.11 55.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.718 HG21 HG11 ' A' ' 106' ' ' VAL . 62.4 mt -61.78 -53.24 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.704 ' HA ' HD22 ' A' ' 26' ' ' LEU . 36.0 ptt180 -60.42 -46.58 89.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 13.8 mt-30 -66.8 -32.52 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HD3' ' CE2' ' A' ' 19' ' ' TYR . 8.7 ttt85 -66.61 -49.02 67.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.483 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 84.7 m-85 -100.06 13.67 33.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -64.24 -14.37 55.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.24 -26.77 42.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.82 151.7 14.93 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.571 0.7 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -49.68 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.43 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -64.32 -176.56 4.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.455 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -107.89 124.4 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.9 tp -62.23 131.81 50.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -134.28 107.35 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.73 HG12 HG22 ' A' ' 106' ' ' VAL . 36.1 mt -100.29 109.29 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.665 HD12 HD21 ' A' ' 31' ' ' LEU . 30.7 pt -120.52 142.48 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -95.66 114.57 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.665 HD21 HD12 ' A' ' 29' ' ' ILE . 76.0 mt -109.41 135.79 49.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -94.96 124.68 39.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HD3' HG22 ' A' ' 96' ' ' ILE . 20.9 mtmt -57.17 111.11 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LYS . 71.0 m-20 -74.32 -178.91 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' ASP . 39.4 tttt -36.94 -38.27 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -104.39 -21.6 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.96 -154.65 16.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.452 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 105' ' ' LEU . 17.7 mt -82.35 105.41 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.12 101.2 2.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.634 HD21 ' HB1' ' A' ' 64' ' ' ALA . 10.1 mt -143.23 136.74 28.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.9 m -94.57 113.59 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -95.39 158.33 15.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.468 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . . . -160.37 122.05 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -53.3 147.23 17.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 37.9 t-20 -50.02 147.43 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.516 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 33.9 mttm -35.88 -45.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -96.96 117.17 30.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -51.07 -51.09 56.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.2 t -43.92 -24.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -91.81 97.87 11.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.3 tpt -75.19 96.24 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -154.16 149.23 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.5 mt -102.07 145.35 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 59.4 m-85 -145.24 155.74 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.464 HG21 ' CE ' ' A' ' 70' ' ' MET . 93.2 t -101.23 106.04 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 43' ' ' ALA . 6.5 m -101.23 9.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.71 146.41 7.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.555 HG12 HD23 ' A' ' 40' ' ' LEU . 98.3 mt -135.71 109.52 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 29.8 t30 -48.0 119.98 7.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -9.34 25.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -106.23 -7.91 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.86 176.54 45.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.429 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -37.29 9.48 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.399 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.634 ' HB1' HD21 ' A' ' 40' ' ' LEU . . . -56.4 -28.71 60.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -87.4 -37.85 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.68 -59.42 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -48.95 -37.92 21.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.53 45.19 60.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' HB2' HD13 ' A' ' 29' ' ' ILE . 3.9 mmp_? -124.94 -35.95 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 0.0 110.89 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.663 ' HG3' HD11 ' A' ' 29' ' ' ILE . 9.3 mtp -86.42 121.99 29.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.498 ' N ' ' CD ' ' A' ' 71' ' ' ARG . 1.3 mpt_? -108.69 -174.96 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.6 mm -87.52 122.85 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.17 -25.26 6.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -49.01 145.19 4.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.771 0.319 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 33.3 tt0 -114.93 100.78 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.607 HD13 HD11 ' A' ' 79' ' ' ILE . 90.0 mt -53.41 128.66 29.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.441 HD22 ' CE1' ' A' ' 19' ' ' TYR . 13.8 mt -109.94 -41.17 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -140.63 153.55 46.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.607 HD11 HD13 ' A' ' 76' ' ' LEU . 12.0 mt -152.72 116.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.408 ' HB2' HG13 ' A' ' 103' ' ' VAL . 21.3 t-20 56.39 50.26 13.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 59.95 50.38 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -154.54 111.25 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.5 mt -71.56 123.77 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.526 HD11 HG13 ' A' ' 79' ' ' ILE . 11.7 mt -93.16 -22.15 19.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -42.92 92.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 115.6 26.51 3.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.468 ' NH1' HD11 ' A' ' 95' ' ' ILE . 63.2 mtp180 -134.97 176.0 9.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 99.0 p -88.52 137.83 31.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -48.86 -37.13 18.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -55.94 -36.57 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -65.91 -51.59 57.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.24 -55.15 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.1 m -54.19 -37.45 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.6 83.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.468 HD11 ' NH1' ' A' ' 87' ' ' ARG . 98.5 mt -56.46 -38.69 57.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.58 HD13 HD12 ' A' ' 38' ' ' LEU . 96.4 mt -65.95 -46.79 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -52.73 -44.84 66.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.5 p -73.12 -26.44 61.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.61 154.04 93.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.593 0.711 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.7 Cg_endo -69.76 170.49 16.45 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 100' ' ' PRO . 24.0 m -38.34 -64.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.46 117.36 19.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 80' ' ' ASN . 18.5 t -124.83 136.96 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.421 ' HE3' HG21 ' A' ' 28' ' ' ILE . 48.4 tttt -93.6 119.12 32.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.588 HD11 HD13 ' A' ' 38' ' ' LEU . 7.0 mt -110.0 124.23 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.73 HG22 HG12 ' A' ' 28' ' ' ILE . 95.4 t -111.65 101.27 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.591 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 21.9 p90 -125.78 176.12 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.43 HD11 ' C ' ' A' ' 24' ' ' GLY . 6.1 tt -114.46 152.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.4 ttt-85 -109.34 102.42 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -135.41 109.81 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 114' ' ' VAL . 1.1 pm0 -60.46 -15.76 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 88.0 m-20 -83.75 -30.66 26.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -48.9 -36.43 17.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.077 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 111' ' ' GLU . 25.4 m -41.83 -29.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 116' ' ' GLN . 5.0 p30 -88.22 -38.46 15.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.499 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 28.4 mt-30 -65.81 -35.66 81.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.466 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -76.51 140.53 41.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LYS . 80.6 p -76.84 143.02 40.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.89 -42.66 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -58.04 -38.73 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 11' ' ' THR . 56.4 mmtt -81.23 -32.71 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.676 HG21 HG11 ' A' ' 106' ' ' VAL . 76.3 mt -66.66 -45.8 87.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.752 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 32.5 ptt180 -65.83 -41.46 91.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -72.95 -33.91 66.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -69.07 -40.83 78.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CG ' HD13 ' A' ' 77' ' ' LEU . 73.8 m-85 -104.9 14.12 30.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -67.71 -18.03 64.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -73.05 -29.7 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 24.2 mt -54.69 151.67 14.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.65 0.738 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.6 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.331 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.15 -179.75 6.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -105.76 124.55 49.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.667 HD22 ' HA ' ' A' ' 16' ' ' ARG . 10.9 tp -59.08 133.29 55.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -132.66 102.63 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.559 HG21 ' HE2' ' A' ' 104' ' ' LYS . 39.4 mt -97.96 110.91 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.938 HD11 ' HG3' ' A' ' 70' ' ' MET . 20.7 pt -129.76 138.02 55.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -94.55 115.03 27.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.539 HD12 ' CD1' ' A' ' 105' ' ' LEU . 48.1 mt -111.87 126.62 55.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -81.66 120.36 24.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -46.15 110.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' ASN . 24.0 t70 -67.58 175.18 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' ASP . 77.3 tttt -37.71 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' ASP . 21.0 m-20 -110.94 -24.78 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 110.31 -171.46 14.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 63' ' ' PRO . 11.9 mt -69.35 91.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.31 111.29 3.45 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -146.68 136.44 23.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.0 m -83.44 107.13 15.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.405 HD22 ' CG2' ' A' ' 53' ' ' ILE . 22.4 mt -97.61 135.65 39.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.976 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.32 117.37 11.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.01 135.12 22.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 32.1 t-20 -37.03 150.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 32.2 mttm -40.81 -48.98 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -88.21 127.63 35.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -67.85 -21.97 65.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -71.37 -20.44 62.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -105.83 94.7 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.9 tpt -70.6 105.18 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -150.25 151.27 32.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.405 ' CG2' HD22 ' A' ' 42' ' ' LEU . 60.7 mt -110.74 128.06 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 69.7 m-85 -129.1 159.49 35.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 72' ' ' ILE . 88.7 t -101.92 96.15 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 m -93.17 11.2 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.93 151.72 11.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.416 HG13 ' CD1' ' A' ' 72' ' ' ILE . 85.2 mt -134.79 94.65 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -47.12 124.98 8.73 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.3 Cg_endo -69.84 -5.27 15.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.73 -28.31 16.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.7 -178.85 50.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.451 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.553 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.2 Cg_endo -69.85 -49.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -37.88 -40.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -68.95 -41.05 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -65.14 -38.47 90.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.443 ' OD2' HD12 ' A' ' 29' ' ' ILE . 9.7 t0 -64.75 -44.75 89.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.76 -13.82 22.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -72.5 -49.51 32.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.938 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.1 mtp -65.38 134.85 54.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -130.84 173.85 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.416 ' CD1' HG13 ' A' ' 58' ' ' ILE . 6.1 mm -75.78 119.81 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.459 ' O ' ' HB1' ' A' ' 113' ' ' ALA . . . 129.16 -19.96 5.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.528 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.504 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.7 m-20 -58.4 152.28 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 29.8 tt0 -125.57 105.7 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.726 HD13 HD11 ' A' ' 79' ' ' ILE . 95.4 mt -57.61 129.49 42.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' A' ' 19' ' ' TYR . 16.1 mt -110.41 -39.71 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -146.46 150.25 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.826 HD12 HD11 ' A' ' 84' ' ' LEU . 55.0 mt -147.41 139.38 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 79' ' ' ILE . 13.1 t30 34.3 49.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 61.04 53.8 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -159.5 110.69 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.3 mt -67.52 131.18 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.826 HD11 HD12 ' A' ' 79' ' ' ILE . 14.2 mt -97.85 -21.32 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -50.89 101.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 124.22 -29.91 4.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -90.68 167.62 12.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.327 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.5 t -86.71 147.64 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -46.18 -36.41 5.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -52.53 -40.19 62.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.528 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 50.7 m-20 -67.54 -49.6 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -42.52 -62.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -47.01 -35.26 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -64.07 -44.75 91.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.59 -43.81 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.56 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -53.8 -43.82 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 49.4 p -76.41 -26.59 55.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.37 149.26 98.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.567 0.699 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.6 Cg_endo -69.79 171.96 13.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' PRO . 63.4 m -38.14 -65.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -76.06 122.4 24.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.4 t -132.28 143.87 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.559 ' HE2' HG21 ' A' ' 28' ' ' ILE . 45.8 tttm -94.92 126.22 40.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.543 HD23 HG12 ' A' ' 79' ' ' ILE . 8.8 mt -115.15 123.87 50.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.676 HG11 HG21 ' A' ' 15' ' ' ILE . 90.8 t -116.25 99.82 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.517 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 10.8 p90 -124.48 174.62 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 22' ' ' LEU . 5.8 tt -116.46 150.84 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 ttt-85 -110.25 103.09 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -130.15 135.66 48.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.7 pt-20 -72.93 -15.83 61.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.83 -26.12 24.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . -49.59 -49.25 47.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.5 m -49.41 -27.44 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -88.6 -36.87 16.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -68.25 -57.61 5.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.519 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 21.7 ptt? -51.22 138.94 19.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.914 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.4 p -79.16 143.44 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.73 -55.66 2.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -52.56 -39.7 61.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -73.92 -31.78 63.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.546 ' CG2' HG11 ' A' ' 106' ' ' VAL . 85.3 mt -71.46 -51.85 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.776 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 7.5 ptm180 -63.98 -29.82 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -83.4 -29.94 27.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.1 ttm-85 -68.7 -46.16 69.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.565 ' CG ' HD13 ' A' ' 77' ' ' LEU . 80.4 m-85 -99.41 12.53 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -65.55 -7.76 16.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.39 -19.36 25.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.84 148.8 86.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -49.75 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.582 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -59.21 -177.7 1.07 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -103.98 121.84 43.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.595 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.2 tp -70.7 124.49 24.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -127.71 106.99 9.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.534 HG12 HG22 ' A' ' 106' ' ' VAL . 67.3 mt -97.88 109.92 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.887 HD11 ' HG3' ' A' ' 70' ' ' MET . 16.6 pt -121.27 150.7 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -107.34 116.51 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.794 HD21 HD12 ' A' ' 29' ' ' ILE . 40.5 mt -115.2 127.01 55.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' LYS . 8.2 tt0 -85.65 111.64 20.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' GLU . 15.1 mtmt -37.14 130.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' LYS . 10.9 t70 -91.88 -179.97 5.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' ASP . 14.4 tmtt? -34.39 -44.76 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -97.78 -35.3 10.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.58 -167.28 18.0 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.523 HD23 ' HG3' ' A' ' 63' ' ' PRO . 28.4 mt -70.86 70.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.77 95.06 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 64' ' ' ALA . 11.4 mt -134.95 140.59 45.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.6 m -92.34 114.48 27.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 mt -102.98 149.53 24.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -151.17 115.76 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -50.4 149.0 6.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' LYS . 31.1 t-20 -47.18 135.09 10.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.811 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 27.8 mttp -34.66 -38.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.58 105.23 17.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -48.77 -38.53 22.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 t -50.31 -32.01 15.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -87.55 152.99 21.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.1 tpt -118.85 95.55 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -154.98 147.13 23.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.463 HD13 ' HB2' ' A' ' 92' ' ' ALA . 19.4 mt -112.98 140.7 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 80.2 m-85 -132.7 -178.41 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.0 t -121.6 93.35 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 m -87.44 13.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.68 151.08 8.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 72' ' ' ILE . 91.5 mt -134.35 98.84 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 4.0 t-20 -39.27 122.72 1.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -10.21 28.04 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -103.59 -8.22 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.39 179.11 46.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.523 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.6 Cg_endo -69.7 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.503 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -44.59 -43.33 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -65.32 -41.51 93.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.67 -34.39 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 6.9 t0 -68.51 -45.76 71.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.66 -20.87 12.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.883 ' HB2' HD13 ' A' ' 29' ' ' ILE . 17.7 mmm180 -60.54 -43.06 97.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.887 ' HG3' HD11 ' A' ' 29' ' ' ILE . 8.9 mtp -79.3 139.99 37.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -135.29 173.47 11.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.508 ' N ' HD13 ' A' ' 72' ' ' ILE . 3.7 mm -76.33 115.99 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 124.15 -7.55 8.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.544 ' OD2' ' CE1' ' A' ' 107' ' ' PHE . 86.7 m-20 -73.84 129.99 39.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.776 0.322 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 14.7 tt0 -97.45 110.35 22.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.44 HD13 HD11 ' A' ' 79' ' ' ILE . 50.7 mt -64.14 122.21 16.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.565 HD13 ' CG ' ' A' ' 19' ' ' TYR . 14.5 mt -100.83 -46.44 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -137.73 152.04 48.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.605 HG12 HD23 ' A' ' 105' ' ' LEU . 52.4 mt -154.24 109.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.0 t30 62.85 48.38 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 61.65 43.52 9.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -144.47 120.14 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.493 ' O ' HD23 ' A' ' 84' ' ' LEU . 61.9 mt -70.81 144.13 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 83' ' ' ILE . 12.1 mt -130.87 3.97 4.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.595 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 44.2 t80 -76.76 7.82 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.62 18.6 1.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -128.08 174.54 9.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.5 t -89.08 157.84 18.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -62.91 -23.95 67.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -66.0 -23.85 66.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -84.71 -41.59 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -46.99 -54.41 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t -56.42 -39.72 73.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.08 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.73 -46.04 95.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.453 HD13 HD12 ' A' ' 38' ' ' LEU . 97.6 mt -60.33 -47.15 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -52.74 -46.73 67.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.9 p -73.07 -21.7 60.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.27 152.41 92.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 172.11 13.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.6 m -42.33 -63.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -77.77 112.27 14.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.1 t -116.64 150.27 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -107.96 111.66 23.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.605 HD23 HG12 ' A' ' 79' ' ' ILE . 6.7 mt -102.51 129.84 49.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.546 HG11 ' CG2' ' A' ' 15' ' ' ILE . 97.8 t -120.24 100.54 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 36.4 p90 -122.87 177.78 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.582 HD11 ' C ' ' A' ' 24' ' ' GLY . 7.8 tt -129.51 125.45 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -85.7 123.06 30.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -151.47 133.4 15.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.35 -10.86 59.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -95.32 -16.52 22.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.73 -35.35 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.5 m -59.92 -24.35 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -87.05 -35.87 18.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -73.26 -42.88 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.527 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -59.12 128.42 37.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.811 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 14.6 p -67.92 133.26 48.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.545 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -36.15 -57.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -49.24 -39.96 32.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' THR . 10.4 mmtm -75.64 -32.38 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.631 HG21 HG11 ' A' ' 106' ' ' VAL . 79.7 mt -65.05 -48.28 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.859 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.5 ptp180 -63.38 -48.6 77.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.6 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 -67.74 -45.0 76.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -100.64 17.63 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.97 -19.96 65.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.31 -29.69 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 108' ' ' ILE . 28.6 mt -53.6 150.14 13.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.43 ' HG2' ' ND2' ' A' ' 110' ' ' ASN . 54.1 Cg_endo -69.74 -49.3 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 0.0 112.367 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.491 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -64.93 -173.31 3.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -109.35 127.56 54.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.859 HD22 ' HA ' ' A' ' 16' ' ' ARG . 4.7 tp -68.32 133.08 48.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -134.32 108.05 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.467 HG21 ' HE3' ' A' ' 104' ' ' LYS . 72.1 mt -100.52 109.96 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.852 HD11 ' HG3' ' A' ' 70' ' ' MET . 21.6 pt -122.34 146.38 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -100.93 114.08 27.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.842 HD21 HD12 ' A' ' 29' ' ' ILE . 49.8 mt -115.41 133.95 55.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -95.74 116.76 29.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -40.88 127.99 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.9 t70 -87.01 177.17 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -34.63 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' ASP . 10.3 m-80 -108.81 -23.66 11.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 107.92 -177.25 21.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.543 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 105' ' ' LEU . 21.8 mt -59.71 109.93 1.03 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -100.26 105.48 2.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.416 HD21 ' CB ' ' A' ' 64' ' ' ALA . 7.0 mt -143.57 133.61 24.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.5 m -83.98 105.86 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.5 mt -92.32 152.57 19.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.53 123.44 5.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.91 153.41 6.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 27.9 t-20 -53.84 153.88 4.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.933 0.397 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 4.7 mtpm? -37.43 -34.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -105.91 147.65 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -5.54 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -85.86 -25.95 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -95.63 94.08 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.817 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.93 97.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -148.33 151.89 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.6 mt -115.83 134.95 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.482 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 66.6 m-85 -130.12 173.53 10.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.5 t -118.57 94.81 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.743 HG12 ' SD ' ' A' ' 117' ' ' MET . 17.5 m -93.86 20.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.45 150.73 8.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.4 mt -133.23 102.86 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 111.137 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.571 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 16.2 t-20 -41.68 118.61 1.91 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.736 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -11.19 30.33 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.395 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -104.37 -8.69 19.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.26 -179.43 46.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.8 Cg_endo -69.77 -49.25 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.416 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -43.99 -43.04 6.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -64.09 -42.47 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.92 89.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.405 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 8.9 t70 -65.32 -49.36 69.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.51 -23.86 11.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.76 ' HB2' HD13 ' A' ' 29' ' ' ILE . 16.5 mmm180 -57.08 -45.68 83.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.852 ' HG3' HD11 ' A' ' 29' ' ' ILE . 9.5 mtp -71.87 146.0 48.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.414 ' HE ' ' CZ ' ' A' ' 109' ' ' ARG . 20.0 mtm180 -143.49 166.24 25.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 72' ' ' ILE . 5.5 mm -68.94 118.29 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.09 -21.39 5.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.591 ' CG ' ' CE1' ' A' ' 107' ' ' PHE . 85.2 m-20 -54.73 153.93 5.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -125.96 98.1 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.801 HD13 HD11 ' A' ' 79' ' ' ILE . 89.3 mt -51.35 123.63 10.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 mt -105.06 -43.81 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -143.97 152.33 40.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.801 HD11 HD13 ' A' ' 76' ' ' LEU . 81.5 mt -150.58 124.6 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 51.93 47.07 25.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.3 m120 60.95 53.66 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -156.29 107.66 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.2 mt -68.49 133.05 32.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 79' ' ' ILE . 11.9 mt -104.03 -21.05 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -44.89 94.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 118.46 11.46 7.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.488 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -124.82 173.6 8.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.819 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 76.8 p -86.94 153.5 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -59.09 -39.48 82.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -53.63 -34.04 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.499 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 84.4 m-20 -69.28 -42.78 75.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.03 -63.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.1 p -44.91 -40.0 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -56.69 -50.52 71.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.072 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.485 HD12 ' CD2' ' A' ' 84' ' ' LEU . 75.1 mt -56.19 -39.86 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 88.3 mt -65.22 -46.2 91.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -52.05 -46.39 65.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -73.71 -28.33 61.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.82 151.35 96.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.54 0.686 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.7 Cg_endo -69.8 171.31 14.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.649 2.233 . . . . 0.0 112.359 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 100' ' ' PRO . 39.6 m -36.68 -64.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -77.0 119.02 20.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 32.2 t -127.46 129.23 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HE3' HG21 ' A' ' 28' ' ' ILE . 21.5 tttp -80.62 124.94 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 38' ' ' LEU . 9.9 mt -116.45 115.11 25.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.631 HG11 HG21 ' A' ' 15' ' ' ILE . 76.3 t -108.96 103.15 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.591 ' CE1' ' CG ' ' A' ' 74' ' ' ASP . 42.8 p90 -125.67 179.93 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.491 HD11 ' C ' ' A' ' 24' ' ' GLY . 7.8 tt -127.96 120.85 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.414 ' CZ ' ' HE ' ' A' ' 71' ' ' ARG . 7.6 tpp85 -80.69 94.65 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.433 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 61.4 t-20 -115.27 122.53 46.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.7 tp10 -64.51 -15.32 60.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -94.06 -12.08 29.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.433 ' HB2' ' HB3' ' A' ' 110' ' ' ASN . . . -72.5 -27.64 62.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 111' ' ' GLU . 19.7 m -53.26 -34.37 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -90.7 -45.55 8.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -46.8 -29.14 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.743 ' SD ' HG12 ' A' ' 56' ' ' VAL . 17.9 ptt? -87.42 122.6 31.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 117' ' ' MET . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.893 0.378 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' ASP . 20.6 p -79.53 137.56 37.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.464 ' OD1' HD12 ' A' ' 28' ' ' ILE . 10.0 t70 -36.41 -61.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' ASP . 7.6 pt20 -37.67 -45.4 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -75.98 -34.91 59.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.644 HG21 HG11 ' A' ' 106' ' ' VAL . 86.5 mt -62.74 -50.46 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.744 ' HA ' HD22 ' A' ' 26' ' ' LEU . 2.4 ptm85 -61.45 -39.17 89.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -74.09 -32.41 63.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -69.48 -42.94 74.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.626 ' CE1' HD22 ' A' ' 77' ' ' LEU . 76.7 m-85 -103.21 16.91 25.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -69.0 -25.58 64.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.09 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.64 -30.69 71.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 mt -53.79 151.17 12.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.543 0.687 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -49.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.702 2.268 . . . . 0.0 112.38 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -166.05 0.32 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -120.12 125.23 47.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 16' ' ' ARG . 5.4 tp -63.59 130.15 43.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -132.51 109.99 10.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.464 HD12 ' OD1' ' A' ' 12' ' ' ASP . 36.2 mt -99.57 115.79 41.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.936 HD11 ' HG3' ' A' ' 70' ' ' MET . 42.7 pt -128.53 139.27 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -97.79 120.1 37.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.53 HD21 HD12 ' A' ' 29' ' ' ILE . 22.7 mt -121.28 124.2 44.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -81.2 114.27 19.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HD3' HG22 ' A' ' 96' ' ' ILE . 13.8 mtmt -39.15 123.1 1.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 35' ' ' LYS . 13.6 t70 -80.43 175.1 10.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -34.19 -39.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -100.8 -33.4 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.63 -178.13 16.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 63' ' ' PRO . 22.6 mt -61.05 94.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.82 103.99 2.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 58' ' ' ILE . 39.8 mt -140.77 133.67 29.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -86.92 110.81 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.19 150.07 21.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -152.02 113.43 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.743 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -41.76 163.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' LYS . 21.2 t-20 -64.49 146.57 54.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.849 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.715 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 4.9 mtpm? -37.79 -45.87 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.85 106.59 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' SER . 9.1 ptt85 -42.26 -51.32 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' ARG . 5.8 m -37.55 -37.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -82.34 148.36 28.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.6 tpt -121.39 104.57 9.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.66 144.3 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 92' ' ' ALA . 20.4 mt -100.21 130.19 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.539 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 60.9 m-85 -125.95 167.39 15.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.706 HG21 ' HE2' ' A' ' 70' ' ' MET . 66.7 t -115.57 89.13 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.586 HG12 ' SD ' ' A' ' 117' ' ' MET . 6.3 m -91.41 22.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.42 151.34 8.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 40' ' ' LEU . 98.6 mt -134.79 97.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 111.114 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' CG ' ' HG2' ' A' ' 61' ' ' GLU . 9.1 t-20 -42.84 118.89 2.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.666 0.746 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.4 Cg_endo -69.8 0.08 6.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG2' ' CG ' ' A' ' 59' ' ' ASN . 10.4 pt-20 -102.51 -25.37 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.81 -175.77 49.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.626 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.4 Cg_endo -69.81 -49.03 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.29 -36.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.487 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -82.26 -34.71 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -67.93 -53.11 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -60.12 -36.1 76.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.83 48.74 59.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.527 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -122.29 -43.93 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.936 ' HG3' HD11 ' A' ' 29' ' ' ILE . 6.0 mtp -72.45 153.53 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -138.38 174.31 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.511 HG22 ' CE ' ' A' ' 117' ' ' MET . 7.8 mm -81.42 119.76 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.53 -18.96 6.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.4 m-20 -60.85 136.53 58.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -108.83 100.04 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.476 HD13 HD11 ' A' ' 79' ' ' ILE . 80.2 mt -50.2 136.11 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.626 HD22 ' CE1' ' A' ' 19' ' ' TYR . 17.2 mt -118.85 -39.2 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.423 ' C ' HG13 ' A' ' 79' ' ' ILE . 47.3 mt-10 -148.09 151.62 35.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.557 HD12 HD11 ' A' ' 84' ' ' LEU . 90.2 mt -152.0 131.32 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.3 t30 48.67 43.26 20.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.0 m120 62.64 54.44 2.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -154.9 119.6 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.6 mt -74.47 127.38 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.557 HD11 HD12 ' A' ' 79' ' ' ILE . 7.9 mt -101.66 -20.42 15.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -47.69 96.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.35 30.92 2.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -145.36 166.11 26.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.0 p -77.8 146.15 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -49.17 -46.06 44.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -45.86 -41.77 11.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -59.72 -48.96 79.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.549 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -48.08 -62.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -49.4 -41.0 38.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.25 73.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 84' ' ' LEU . 81.1 mt -54.26 -39.56 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.507 HD13 HD12 ' A' ' 38' ' ' LEU . 83.4 mt -65.17 -47.29 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -51.25 -42.55 61.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.3 p -75.28 -25.1 57.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.43 154.36 94.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.067 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 174.94 8.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -44.06 -57.0 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.807 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -81.03 116.12 20.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.9 t -126.24 142.08 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -99.59 117.52 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.459 ' CD1' HD12 ' A' ' 31' ' ' LEU . 5.8 mt -106.78 120.02 40.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.644 HG11 HG21 ' A' ' 15' ' ' ILE . 93.2 t -110.15 102.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.484 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 31.9 p90 -128.4 171.97 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.2 tt -112.32 155.79 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -112.07 94.19 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 112' ' ' ASP . 31.1 t-20 -124.28 114.99 20.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.967 ' O ' HG22 ' A' ' 114' ' ' VAL . 13.2 tt0 -51.13 -42.65 60.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 1.1 m-20 -60.88 -28.91 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 110' ' ' ASN . . . -54.69 -42.59 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.967 HG22 ' O ' ' A' ' 111' ' ' GLU . 28.5 m -44.13 -33.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -91.6 -51.86 5.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -45.16 -38.18 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.586 ' SD ' HG12 ' A' ' 56' ' ' VAL . 22.4 ptt? -68.82 124.46 23.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 44' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.913 0.387 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' ASP . 43.4 p -88.15 141.13 28.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -34.82 -65.42 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 14' ' ' LYS . 9.3 pt20 -38.63 -42.54 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 5.0 mmpt? -76.26 -39.64 53.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.585 HG21 HG11 ' A' ' 106' ' ' VAL . 89.5 mt -58.58 -49.29 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.71 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 18.9 ptt180 -63.74 -39.87 95.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -73.23 -27.43 61.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -74.58 -39.69 62.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.459 ' CG ' HD13 ' A' ' 77' ' ' LEU . 81.5 m-85 -107.48 14.33 25.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -65.1 -19.09 65.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -72.89 -27.59 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.415 ' HB3' HD13 ' A' ' 108' ' ' ILE . 24.5 mt -54.99 152.05 14.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.69 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.464 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.76 -175.44 6.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.65 126.11 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.554 HD21 HG22 ' A' ' 15' ' ' ILE . 6.9 tp -59.0 134.16 56.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -131.8 96.4 3.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.534 HG12 HG22 ' A' ' 106' ' ' VAL . 31.8 mt -91.43 105.74 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.885 HD11 ' HG3' ' A' ' 70' ' ' MET . 33.0 pt -123.9 136.99 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -95.71 124.27 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.68 HD12 ' CD1' ' A' ' 105' ' ' LEU . 14.8 mt -122.36 125.83 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -82.34 112.35 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.474 ' HD3' HG22 ' A' ' 96' ' ' ILE . 5.5 mtmp? -39.92 131.55 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.3 t0 -92.0 -178.36 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ASP . 22.0 ttmt -35.56 -32.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ASP . 91.1 m-20 -114.3 -21.98 10.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.74 -166.68 12.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.549 HD13 HD11 ' A' ' 105' ' ' LEU . 10.3 mt -70.8 98.84 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.67 99.26 2.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mt -135.69 136.93 41.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.9 m -83.6 100.88 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.19 143.93 25.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.66 123.44 10.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.19 155.62 7.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -53.02 138.94 29.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.625 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 13.7 mtpp -46.79 -35.08 5.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -94.73 112.29 24.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' ARG . 25.7 ttt180 -48.49 -61.67 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ARG . 74.6 m -36.65 -33.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' ARG . 8.1 mtt85 -94.81 140.12 30.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.3 mmt -115.25 130.63 56.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 m -175.64 151.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.486 HD13 ' HB2' ' A' ' 92' ' ' ALA . 14.5 mt -115.63 123.36 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CZ ' ' OE2' ' A' ' 75' ' ' GLU . 85.5 m-85 -119.01 178.72 4.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.691 HG21 ' HE2' ' A' ' 70' ' ' MET . 90.1 t -119.78 95.84 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.839 HG12 ' SD ' ' A' ' 117' ' ' MET . 16.8 m -93.7 20.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.92 150.8 7.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.9 mt -134.97 97.77 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 111.125 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -43.92 122.06 3.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.76 -13.97 35.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -91.74 -22.72 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.25 -178.72 49.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.5 Cg_endo -69.76 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -38.25 -44.39 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -69.04 -36.49 77.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.88 -51.88 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.31 -32.96 70.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.86 46.71 93.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -122.27 -50.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.885 ' HG3' HD11 ' A' ' 29' ' ' ILE . 5.7 mtp -64.78 146.23 55.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 70' ' ' MET . 11.6 mmt-85 -130.5 177.15 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.8 mm -82.31 119.84 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.26 -20.04 7.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.549 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 71.7 m-20 -51.6 144.73 10.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.571 ' OE2' ' CZ ' ' A' ' 54' ' ' PHE . 42.7 tt0 -117.03 105.25 12.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.765 HD13 HD11 ' A' ' 79' ' ' ILE . 68.6 mt -58.29 128.43 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.459 HD13 ' CG ' ' A' ' 19' ' ' TYR . 26.5 mt -111.37 -45.17 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -140.48 153.23 46.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.765 HD11 HD13 ' A' ' 76' ' ' LEU . 72.4 mt -154.0 131.92 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 48.95 33.91 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 71.88 53.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -154.7 124.86 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.7 mt -78.15 127.39 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.499 HD11 HD12 ' A' ' 79' ' ' ILE . 11.0 mt -99.43 -29.91 12.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' LEU . 58.8 t80 -37.28 109.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.11 26.01 7.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -141.29 168.96 18.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.8 p -88.62 153.04 21.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -54.44 -39.24 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -50.31 -26.88 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -77.46 -41.06 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -54.84 -66.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.4 p -40.38 -42.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.49 -50.97 71.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.4 mt -55.15 -47.31 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.474 HG22 ' HD3' ' A' ' 33' ' ' LYS . 85.9 mt -60.49 -44.25 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -52.46 -43.65 65.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.1 p -77.05 -24.79 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' A' ' 103' ' ' VAL . . . -69.6 149.44 96.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.6 Cg_endo -69.78 170.92 15.46 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.318 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' PRO . 67.1 m -38.23 -55.47 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -82.21 117.1 22.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.493 HG22 ' HB1' ' A' ' 99' ' ' ALA . 89.6 t -127.89 140.45 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -95.42 125.05 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.68 ' CD1' HD12 ' A' ' 31' ' ' LEU . 4.9 mt -114.61 117.73 31.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.585 HG11 HG21 ' A' ' 15' ' ' ILE . 95.3 t -111.01 99.61 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 23.0 p90 -125.04 -176.56 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.496 HG22 ' HB3' ' A' ' 75' ' ' GLU . 5.9 tt -122.74 145.92 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -100.78 91.89 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -125.93 127.15 45.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.928 ' O ' HG22 ' A' ' 114' ' ' VAL . 17.1 pt-20 -69.33 -33.46 73.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.85 -28.5 68.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.75 71.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.928 HG22 ' O ' ' A' ' 111' ' ' GLU . 16.5 m -52.18 -22.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -92.62 -19.08 22.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.41 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 56.3 mt-30 -88.86 -38.58 14.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.839 ' SD ' HG12 ' A' ' 56' ' ' VAL . 25.9 ptt? -66.19 137.74 57.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.625 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.946 0.403 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LYS . 12.3 p -77.99 135.26 37.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' THR . 1.9 m-20 -35.98 -38.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -61.59 -48.81 79.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 11' ' ' THR . 24.8 mmmt -72.22 -24.38 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.557 HG21 HG11 ' A' ' 106' ' ' VAL . 94.1 mt -74.62 -46.56 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.717 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 6.9 ptm180 -66.76 -37.65 85.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 18.5 mt-30 -74.14 -33.13 63.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 14.2 ttm105 -70.09 -39.42 75.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.601 ' CE1' HD22 ' A' ' 77' ' ' LEU . 73.6 m-85 -105.34 13.33 30.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -66.87 -27.99 67.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.085 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -64.08 -29.39 70.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.481 ' HB3' HD13 ' A' ' 108' ' ' ILE . 24.6 mt -52.46 152.21 6.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -49.62 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.666 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -67.1 -171.1 4.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.407 ' C ' HG13 ' A' ' 108' ' ' ILE . 6.1 tp10 -112.89 135.12 54.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.663 HD22 ' HA ' ' A' ' 16' ' ' ARG . 8.6 tp -68.83 132.06 46.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -131.67 94.85 3.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.2 mt -88.57 108.02 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.967 HD11 ' HG3' ' A' ' 70' ' ' MET . 15.4 pt -125.49 136.26 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -97.3 113.82 25.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 64' ' ' ALA . 28.3 mt -109.67 121.98 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.39 119.99 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -55.84 120.59 7.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ASN . 21.8 t0 -79.43 176.43 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ASP . 14.0 pttm -36.64 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . 30.0 t30 -98.9 -41.31 7.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.482 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 143.01 -128.15 3.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.686 HD12 HD13 ' A' ' 96' ' ' ILE . 74.6 mt -101.75 -47.98 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.59 91.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.492 HD21 ' HB1' ' A' ' 64' ' ' ALA . 32.2 mt -144.16 136.64 26.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.471 ' HB2' ' N ' ' A' ' 57' ' ' GLY . 70.7 m -84.02 128.59 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 mt -120.4 147.73 44.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.08 118.0 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.04 150.29 8.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' LYS . 28.2 t-20 -46.39 144.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' ASN . 5.4 mtpm? -34.65 -46.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -98.98 125.07 44.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.5 ttp85 -50.82 -50.11 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.1 p -40.5 -35.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 mtt85 -85.34 140.75 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.4 tpp -116.73 101.36 8.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -149.19 135.7 19.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 92' ' ' ALA . 37.8 mt -99.53 107.28 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 56.7 m-85 -105.39 168.52 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.724 HG21 ' HE1' ' A' ' 70' ' ' MET . 82.9 t -112.97 98.0 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.3 m -95.19 6.96 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' HB2' ' A' ' 41' ' ' SER . . . -172.0 152.79 18.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -134.82 105.73 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -44.59 113.03 1.58 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.4 Cg_endo -69.75 -3.56 12.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -103.59 -19.5 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.92 -174.15 46.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.6 Cg_endo -69.71 -47.97 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.521 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -39.0 -39.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.058 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -80.41 -44.37 19.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.25 -56.75 17.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -49.14 -35.23 16.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.3 39.3 94.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -118.51 -51.8 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.967 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.3 mtp -66.14 135.82 55.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HG3' ' NH2' ' A' ' 109' ' ' ARG . 14.8 mmt180 -124.2 176.87 6.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.9 mm -82.78 120.48 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.089 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.93 -16.52 6.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.544 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.547 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 71.2 m-20 -58.74 160.75 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.309 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 27.2 tt0 -131.54 98.51 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.462 HD13 HD11 ' A' ' 79' ' ' ILE . 96.5 mt -51.94 135.03 31.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.601 HD22 ' CE1' ' A' ' 19' ' ' TYR . 10.4 mt -119.47 -43.9 2.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.962 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -142.79 148.88 37.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.564 HG12 HD23 ' A' ' 105' ' ' LEU . 71.2 mt -147.65 135.56 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 38.5 t30 44.94 35.35 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.9 t30 71.93 41.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -142.73 108.36 5.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.48 129.08 29.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.477 ' CD2' HD12 ' A' ' 95' ' ' ILE . 8.8 mt -99.36 -21.3 16.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -46.34 98.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.54 3.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -144.31 163.17 34.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.9 p -78.31 147.92 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -51.09 -42.62 60.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -49.51 -41.99 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 63.8 m-20 -60.57 -52.18 66.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.451 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -41.02 -63.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.6 t -44.11 -39.54 4.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -57.37 -55.35 35.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 84' ' ' LEU . 72.8 mt -50.48 -43.08 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.686 HD13 HD12 ' A' ' 38' ' ' LEU . 98.3 mt -62.15 -47.31 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -50.86 -42.76 59.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.2 p -77.45 -27.59 52.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.4 149.5 91.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.561 0.696 . . . . 0.0 111.119 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 101' ' ' SER . 54.1 Cg_endo -69.71 169.59 18.48 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 100' ' ' PRO . 1.2 t -35.78 -63.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.47 123.0 25.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.3 t -130.44 142.86 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -100.18 120.88 40.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.564 HD23 HG12 ' A' ' 79' ' ' ILE . 5.2 mt -109.74 121.81 46.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.557 HG11 HG21 ' A' ' 15' ' ' ILE . 76.8 t -113.37 102.49 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 17.9 p90 -131.65 175.15 9.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.666 HD11 ' C ' ' A' ' 24' ' ' GLY . 10.8 tt -119.2 142.05 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.418 ' NH2' ' HG3' ' A' ' 71' ' ' ARG . 2.2 tpp85 -100.59 109.61 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 113' ' ' ALA . 30.5 t-20 -136.29 106.97 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.949 ' O ' HG22 ' A' ' 114' ' ' VAL . 5.1 tp10 -44.35 -42.09 6.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -62.09 -33.16 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 110' ' ' ASN . . . -50.37 -43.21 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.949 HG22 ' O ' ' A' ' 111' ' ' GLU . 18.8 m -47.27 -28.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -87.26 -47.07 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -56.94 -35.47 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.511 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 18.9 ptt? -72.53 123.29 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 117' ' ' MET . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.919 0.39 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 21.5 p -80.84 144.14 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -38.48 -41.59 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -61.07 -41.87 97.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 14.8 mmtp -78.59 -27.38 45.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.483 HG22 HD21 ' A' ' 26' ' ' LEU . 84.2 mt -71.87 -45.3 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.809 ' HA ' HD22 ' A' ' 26' ' ' LEU . 36.2 ptt180 -66.72 -39.23 87.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -74.06 -31.19 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -69.84 -41.18 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.449 ' CG ' HD13 ' A' ' 77' ' ' LEU . 76.6 m-85 -103.12 11.57 36.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.14 -21.91 66.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -31.86 69.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.6 mt -52.4 151.77 7.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.525 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -63.49 -171.5 1.87 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -112.33 133.77 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.809 HD22 ' HA ' ' A' ' 16' ' ' ARG . 8.7 tp -71.24 133.77 46.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -138.21 108.58 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.9 mt -99.94 114.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.933 HD11 ' HG3' ' A' ' 70' ' ' MET . 49.7 pt -128.03 137.72 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -98.12 108.81 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.617 HD21 HD12 ' A' ' 29' ' ' ILE . 22.8 mt -104.83 126.0 51.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -79.61 110.99 15.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.726 ' HZ2' HG21 ' A' ' 103' ' ' VAL . 17.1 mtmm -46.54 120.51 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 36' ' ' ASN . 27.4 t0 -79.3 179.75 7.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -44.23 -22.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 34' ' ' ASP . 7.3 p30 -108.63 -39.79 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.57 -172.93 15.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.428 HD13 HD11 ' A' ' 105' ' ' LEU . 21.3 mt -66.13 74.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.34 93.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.601 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.2 mt -137.98 139.59 39.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 m -92.8 111.2 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -95.71 150.82 19.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.98 128.67 10.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -65.66 136.84 36.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.436 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' LYS . 26.3 t-20 -35.68 141.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 27.5 mttm -34.69 -46.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.47 109.57 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -47.87 -47.23 31.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.9 m -46.46 -28.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -89.4 94.64 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.9 tpt -70.88 94.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.6 149.05 30.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 mt -105.68 143.8 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 49.7 m-85 -140.08 173.58 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.538 HG21 ' CE ' ' A' ' 70' ' ' MET . 97.3 t -114.74 100.67 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.2 m -100.72 19.14 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.08 151.49 7.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' A' ' 64' ' ' ALA . 96.0 mt -134.23 98.96 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.169 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 58' ' ' ILE . 5.2 t-20 -34.84 120.8 0.57 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -12.66 33.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.25 . . . . 0.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -104.7 -6.53 20.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.01 -178.33 47.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.17 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.731 2.287 . . . . 0.0 112.275 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.601 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -43.72 -41.31 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.33 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.43 -50.93 57.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -64.72 -29.37 70.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.72 40.11 98.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -112.92 -57.52 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.933 ' HG3' HD11 ' A' ' 29' ' ' ILE . 15.5 mtp -61.31 137.4 58.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 -120.53 175.51 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.3 mm -83.48 122.59 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.95 -17.0 9.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.462 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -55.04 142.49 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.836 0.351 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 43.2 tt0 -110.75 94.1 4.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.411 HD13 HD11 ' A' ' 79' ' ' ILE . 93.4 mt -47.09 136.48 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.449 HD13 ' CG ' ' A' ' 19' ' ' TYR . 25.7 mt -117.73 -42.38 2.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.426 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.6 mt-10 -146.82 157.99 43.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.45 ' CD1' HD11 ' A' ' 84' ' ' LEU . 74.5 mt -153.6 110.79 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 63.33 44.54 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.2 t30 66.48 48.19 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' A' ' 95' ' ' ILE . 36.9 mt-30 -149.82 110.2 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.1 mt -72.15 130.56 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.58 ' CD2' HD12 ' A' ' 95' ' ' ILE . 10.3 mt -101.68 -22.36 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -39.97 107.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.78 29.88 6.35 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -139.68 169.05 18.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 86.6 p -87.25 150.47 23.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -59.23 -18.08 33.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -71.91 -25.62 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -80.64 -41.45 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.078 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -56.53 -41.04 76.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.92 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.58 HD12 ' CD2' ' A' ' 84' ' ' LEU . 66.2 mt -56.52 -44.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.184 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ILE . . . . . 0.448 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 49.0 mt -62.82 -44.54 99.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -55.53 -35.45 65.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.5 p -87.13 -19.31 28.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.484 ' HB3' ' HZ1' ' A' ' 33' ' ' LYS . . . -73.79 151.29 88.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.577 0.704 . . . . 0.0 111.073 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 173.21 11.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.652 2.234 . . . . 0.0 112.311 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.9 m -45.39 -63.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -76.44 112.63 13.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.726 HG21 ' HZ2' ' A' ' 33' ' ' LYS . 13.4 t -122.62 147.69 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -107.79 108.47 19.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.481 ' CD1' HD12 ' A' ' 31' ' ' LEU . 6.0 mt -92.95 139.16 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.448 HG11 HG21 ' A' ' 15' ' ' ILE . 95.3 t -125.95 102.97 10.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 39.2 p90 -128.82 179.63 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.525 HD11 ' C ' ' A' ' 24' ' ' GLY . 10.2 tt -128.16 124.45 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -78.77 140.57 38.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -168.29 132.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.6 ' O ' HG22 ' A' ' 114' ' ' VAL . 10.1 pt-20 -75.61 -21.47 57.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.4 -23.97 37.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -56.29 -50.76 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 111' ' ' GLU . 33.0 m -40.55 -35.73 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -74.28 -40.21 62.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 113' ' ' ALA . 75.4 mm-40 -70.18 -51.74 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.459 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -53.77 140.38 30.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.882 0.373 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 12' ' ' ASP . 22.3 p -89.91 139.11 30.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 11' ' ' THR . 8.1 t0 -37.18 -39.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -56.94 -47.06 81.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' THR . 5.3 mmpt? -74.74 -29.95 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.658 HG21 HG11 ' A' ' 106' ' ' VAL . 97.8 mt -67.84 -53.97 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.817 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.0 ptt180 -56.96 -40.49 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 25.7 mt-30 -75.95 -32.24 59.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -66.09 -46.54 77.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.618 ' CE1' HD22 ' A' ' 77' ' ' LEU . 83.5 m-85 -99.94 13.81 32.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -64.07 -19.85 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.58 -16.16 60.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' A' ' 108' ' ' ILE . 40.6 mt -66.42 152.52 94.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.608 ' O ' HD11 ' A' ' 108' ' ' ILE . . . -64.63 -175.6 4.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -108.98 126.03 52.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.867 0.365 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.817 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.4 tp -62.42 127.24 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -130.14 106.85 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.438 HG12 HG22 ' A' ' 106' ' ' VAL . 52.0 mt -99.57 115.92 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.892 HD11 ' HG3' ' A' ' 70' ' ' MET . 24.2 pt -130.15 139.72 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -100.06 122.94 43.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.3 mt -121.36 133.79 55.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -89.13 112.91 24.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -37.47 117.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -75.19 -175.17 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -45.44 -24.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -116.76 -20.04 9.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.32 -178.71 26.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.552 HD23 ' HG3' ' A' ' 63' ' ' PRO . 17.2 mt -58.98 109.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' HG ' ' A' ' 40' ' ' LEU . . . -100.83 110.53 3.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' C ' ' A' ' 39' ' ' GLY . 6.4 mt -147.2 137.35 23.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 110.937 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.7 m -90.04 103.0 15.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.7 mt -90.81 149.19 22.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.24 130.68 14.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.92 168.77 4.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.8 t-20 -76.12 139.91 41.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' ASN . 61.8 mttt -35.03 -48.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.68 112.45 22.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -49.4 -50.19 41.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.6 m -46.98 -33.7 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -89.24 123.93 33.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.437 ' HE3' ' O ' ' A' ' 86' ' ' GLY . 4.4 mmm -99.4 129.18 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 m -174.96 142.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.6 mt -109.1 115.36 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 73.3 m-85 -111.51 170.08 8.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.402 HG21 ' HE2' ' A' ' 70' ' ' MET . 97.7 t -112.99 95.99 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.54 HG12 ' SD ' ' A' ' 117' ' ' MET . 5.6 m -96.49 23.74 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.41 149.27 6.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.8 mt -131.27 98.97 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.425 ' CG ' ' HG2' ' A' ' 61' ' ' GLU . 11.2 t-20 -39.29 118.32 1.18 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -4.43 14.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' HG2' ' CG ' ' A' ' 59' ' ' ASN . 4.4 pt-20 -101.38 -23.27 14.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.61 -178.58 51.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HG3' HD23 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.73 -48.67 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.31 -41.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.65 68.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.27 -48.67 74.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -61.74 -39.94 93.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.27 31.91 63.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -106.6 -52.69 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.892 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.3 mtp -62.96 137.55 58.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 5.7 mmm180 -124.13 168.74 12.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.2 mm -76.34 121.56 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.35 -21.44 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.599 ' CG ' ' CD1' ' A' ' 107' ' ' PHE . 77.4 m-20 -54.12 146.76 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -116.86 98.08 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.432 HD13 HD11 ' A' ' 79' ' ' ILE . 91.9 mt -50.35 127.25 16.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.618 HD22 ' CE1' ' A' ' 19' ' ' TYR . 19.8 mt -108.82 -45.97 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -144.38 155.98 44.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.733 HD12 HD11 ' A' ' 84' ' ' LEU . 66.1 mt -151.05 139.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' ILE . 13.1 t30 35.96 48.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 62.26 54.77 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -158.63 114.73 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.5 mt -73.03 129.12 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 79' ' ' ILE . 17.9 mt -99.87 -21.91 15.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -44.45 106.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.437 ' O ' ' HE3' ' A' ' 51' ' ' MET . . . 114.39 -38.17 3.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -75.23 176.99 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.6 p -87.06 162.27 17.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -67.48 -34.91 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -59.38 -40.86 87.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -61.29 -42.32 98.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.95 -53.67 46.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -54.05 -34.81 61.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.12 91.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.2 -40.71 88.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.98 -44.72 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -53.56 -45.3 69.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.3 p -76.04 -19.69 58.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.69 152.31 93.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.619 0.724 . . . . 0.0 111.071 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 173.71 10.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 m -42.53 -64.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -77.06 110.58 11.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -116.0 141.9 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -97.82 125.33 42.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.8 mt -117.4 128.19 54.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.658 HG11 HG21 ' A' ' 15' ' ' ILE . 96.1 t -120.18 101.59 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.599 ' CD1' ' CG ' ' A' ' 74' ' ' ASP . 50.9 p90 -125.46 177.69 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 24' ' ' GLY . 7.6 tt -125.43 123.66 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -79.67 110.09 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -134.21 106.75 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.802 ' O ' HG22 ' A' ' 114' ' ' VAL . 11.9 tt0 -53.52 -22.91 9.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -78.26 -31.81 49.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.93 -37.52 63.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 111' ' ' GLU . 24.4 m -49.23 -24.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -88.85 -46.88 8.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -54.7 -65.13 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.54 ' SD ' HG12 ' A' ' 56' ' ' VAL . 13.1 ptt? -42.56 128.41 3.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.924 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.955 0.407 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' LYS . 24.5 p -82.17 134.54 35.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -36.96 -48.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -55.57 -41.28 73.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' THR . 28.2 mmtm -78.37 -28.11 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.581 HG21 HG11 ' A' ' 106' ' ' VAL . 93.9 mt -70.02 -48.67 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.543 ' HA ' HD22 ' A' ' 26' ' ' LEU . 32.9 ptt180 -62.56 -42.33 99.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -70.17 -31.46 68.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 18' ' ' ARG . 15.5 ttm105 -69.35 -40.86 77.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.549 ' CD2' HD13 ' A' ' 77' ' ' LEU . 69.7 m-85 -104.1 14.55 30.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -66.3 -18.18 65.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.95 -28.1 49.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.549 ' HB3' HD13 ' A' ' 108' ' ' ILE . 24.3 mt -51.43 152.77 4.23 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -49.16 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.337 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.699 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.52 -167.6 2.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -119.28 121.88 40.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.543 HD22 ' HA ' ' A' ' 16' ' ' ARG . 3.7 tp -60.86 129.15 40.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -131.1 99.68 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.488 HG12 HG22 ' A' ' 106' ' ' VAL . 70.5 mt -88.96 109.5 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.905 HD11 ' HG3' ' A' ' 70' ' ' MET . 16.0 pt -128.34 136.42 60.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -89.91 113.78 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.565 HD13 ' HA ' ' A' ' 64' ' ' ALA . 18.8 mt -107.67 118.92 38.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 108.79 12.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.598 ' HZ2' HG21 ' A' ' 103' ' ' VAL . 10.7 mtmm -44.85 122.34 3.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' ASN . 23.3 t0 -79.85 177.41 8.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -40.77 -24.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' ASP . 12.7 p30 -107.96 -39.53 5.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.12 -174.41 15.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.47 HD13 HD21 ' A' ' 105' ' ' LEU . 14.1 mt -64.84 89.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.14 97.09 1.51 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.419 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.5 mt -135.77 137.86 42.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.353 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -84.83 105.37 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.417 ' CB ' ' HB2' ' A' ' 89' ' ' HIS . 36.9 mt -91.03 144.77 25.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.578 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -149.41 119.1 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -58.88 135.41 52.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 46' ' ' LYS . 26.0 t-20 -35.7 137.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.384 . . . . 0.0 110.866 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.823 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 41.5 mttm -34.16 -43.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -90.69 109.73 20.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -55.93 -23.23 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.0 p -65.47 -22.22 66.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -105.18 93.32 4.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 tpt -65.94 99.39 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.85 150.25 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' A' ' 89' ' ' HIS . 62.1 mt -116.17 130.52 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 77.2 m-85 -128.86 -177.43 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.1 t -121.24 102.12 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.444 ' HA ' HG23 ' A' ' 72' ' ' ILE . 5.5 m -102.18 20.63 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.17 149.35 7.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.5 mt -135.05 98.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.377 . . . . 0.0 111.097 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 23.6 t30 -45.13 125.17 5.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.96 27.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -99.61 -17.22 17.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.51 179.2 53.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.414 ' CG ' HD23 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.75 -45.82 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.673 2.248 . . . . 0.0 112.349 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.565 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -46.77 -40.85 14.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -65.69 -42.85 90.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.7 98.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -62.31 -45.95 90.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.74 -20.01 10.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -64.15 -47.07 81.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.905 ' HG3' HD11 ' A' ' 29' ' ' ILE . 4.5 mtp -64.29 137.36 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -133.86 170.81 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.444 HG23 ' HA ' ' A' ' 56' ' ' VAL . 6.7 mm -75.43 119.8 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 113' ' ' ALA . . . 126.92 -12.51 6.85 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.562 ' CG ' ' CE1' ' A' ' 107' ' ' PHE . 91.3 m-20 -60.62 146.32 45.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.732 0.301 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -116.64 96.78 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.826 HD13 HD11 ' A' ' 79' ' ' ILE . 70.1 mt -52.74 109.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.549 HD13 ' CD2' ' A' ' 19' ' ' TYR . 20.4 mt -91.22 -42.59 10.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -144.88 158.11 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.826 HD11 HD13 ' A' ' 76' ' ' LEU . 57.1 mt -153.57 130.57 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 80' ' ' ASN . 2.6 t30 45.47 42.33 7.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 m120 67.36 54.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -158.8 114.38 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.62 129.09 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.477 HD11 HD12 ' A' ' 79' ' ' ILE . 10.8 mt -97.8 -22.82 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -40.72 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 114.2 29.19 2.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -141.76 165.94 26.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.6 p -86.59 145.49 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.472 ' HA ' HD13 ' A' ' 53' ' ' ILE . 15.2 p80 -49.37 -30.81 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.0 -35.39 73.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -72.21 -44.01 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -49.1 -53.79 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.6 p -51.24 -40.75 59.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.98 -49.5 76.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 69.7 mt -57.62 -36.91 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.3 mt -68.11 -46.75 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -49.83 -44.55 49.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.8 p -72.97 -31.27 64.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.456 ' O ' ' NZ ' ' A' ' 33' ' ' LYS . . . -64.61 146.9 98.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -171.52 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.2 p -50.75 -61.1 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -79.41 120.7 24.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.598 HG21 ' HZ2' ' A' ' 33' ' ' LYS . 21.7 t -129.57 131.1 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.424 ' HE3' HG21 ' A' ' 28' ' ' ILE . 42.7 tttp -81.97 116.76 21.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 38' ' ' LEU . 9.8 mt -109.48 104.41 13.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 15' ' ' ILE . 88.5 t -98.68 102.65 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.562 ' CE1' ' CG ' ' A' ' 74' ' ' ASP . 47.5 p90 -128.2 178.47 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.699 HD11 ' C ' ' A' ' 24' ' ' GLY . 5.8 tt -128.26 125.47 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -81.36 94.91 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -116.58 116.17 27.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 114' ' ' VAL . 1.6 tp10 -55.16 -33.05 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.11 -25.14 64.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -48.32 -50.57 29.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 111' ' ' GLU . 19.6 m -49.69 -28.19 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -85.34 -22.92 28.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -87.92 -59.26 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.487 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 18.0 ptt? -52.93 144.1 15.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.823 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.934 0.397 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 p -90.08 144.38 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.82 -59.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -47.14 -37.18 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -77.22 -38.31 51.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.594 HG22 HD21 ' A' ' 26' ' ' LEU . 95.5 mt -63.48 -49.78 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.723 ' HA ' HD22 ' A' ' 26' ' ' LEU . 12.2 ptt85 -64.93 -38.66 91.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.61 -28.99 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -72.52 -39.83 67.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.648 ' CE1' HD22 ' A' ' 77' ' ' LEU . 77.7 m-85 -104.62 13.92 30.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.96 -26.48 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -67.03 -29.44 69.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 108' ' ' ILE . 20.4 mt -52.95 152.35 7.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.59 0.71 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.756 ' O ' HD11 ' A' ' 108' ' ' ILE . . . -70.22 177.72 31.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.47 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.83 129.73 48.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.723 HD22 ' HA ' ' A' ' 16' ' ' ARG . 9.6 tp -61.11 128.59 37.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -127.78 98.43 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.537 HG12 HG22 ' A' ' 106' ' ' VAL . 80.6 mt -94.93 110.78 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.826 HD11 ' HG3' ' A' ' 70' ' ' MET . 29.5 pt -124.81 147.86 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.49 123.14 43.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.642 HD21 HD12 ' A' ' 29' ' ' ILE . 60.7 mt -124.42 134.37 53.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -95.26 119.43 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -43.75 117.12 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -76.54 173.97 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.6 pttp -34.58 -36.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -104.27 -22.83 13.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 105.64 174.1 23.9 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.648 HD13 HD11 ' A' ' 105' ' ' LEU . 17.1 mt -54.12 113.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.918 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.7 112.41 4.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -148.38 136.36 20.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -87.77 104.76 16.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.551 HD22 HG22 ' A' ' 53' ' ' ILE . 28.8 mt -92.37 150.95 20.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -155.77 113.13 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -45.58 143.68 3.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' LYS . 23.0 t-20 -49.4 137.74 14.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.695 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 57.1 mttm -35.44 -52.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.68 108.54 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -47.07 -55.96 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -40.28 -36.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -90.02 96.61 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.538 ' HE3' ' O ' ' A' ' 86' ' ' GLY . 6.0 mmm -76.03 125.68 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.02 144.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.551 HG22 HD22 ' A' ' 42' ' ' LEU . 22.4 mt -108.92 120.13 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 79.7 m-85 -113.96 178.68 4.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -119.97 95.52 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.711 HG12 ' SD ' ' A' ' 117' ' ' MET . 5.2 m -94.27 17.54 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.45 145.8 6.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -134.82 97.06 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.504 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 14.7 t30 -39.05 125.4 1.26 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.672 0.748 . . . . 0.0 110.832 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -17.58 37.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -95.92 -14.36 23.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.87 173.39 55.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -36.83 9.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.278 . . . . 0.0 112.319 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.41 -34.0 66.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -73.22 -37.78 66.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.64 84.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.416 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 6.6 t70 -66.33 -51.39 57.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.49 -20.8 38.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.621 ' HB2' HD13 ' A' ' 29' ' ' ILE . 7.7 mmt180 -62.36 -50.58 71.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.826 ' HG3' HD11 ' A' ' 29' ' ' ILE . 9.9 mtp -68.36 144.04 54.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -142.73 178.86 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.6 mm -77.61 122.0 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 124.61 -26.32 5.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.404 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 81.9 m-20 -48.55 155.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.299 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 66.7 tt0 -128.19 95.66 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.0 mt -51.56 113.41 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' A' ' 19' ' ' TYR . 12.7 mt -94.93 -45.29 7.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -141.76 156.02 45.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.858 HD12 HD11 ' A' ' 84' ' ' LEU . 89.8 mt -152.75 140.31 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.422 ' HB2' HG13 ' A' ' 103' ' ' VAL . 31.5 t30 37.99 40.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 68.28 41.99 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' ILE . 5.6 mm100 -144.68 113.16 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.6 mt -70.71 126.48 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.858 HD11 HD12 ' A' ' 79' ' ' ILE . 10.6 mt -95.53 -24.37 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -45.63 104.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.538 ' O ' ' HE3' ' A' ' 51' ' ' MET . . . 118.76 -38.36 2.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.5 mtt-85 -77.6 176.22 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.6 m -91.27 146.64 23.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -50.17 -38.72 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -51.27 -42.25 60.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.52 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 4.2 m120 -65.12 -46.57 80.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -38.85 -64.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.0 p -49.8 -37.81 31.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -58.94 -43.76 91.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.42 HD12 ' CD2' ' A' ' 84' ' ' LEU . 67.7 mt -63.33 -41.45 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.8 mt -65.27 -46.56 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -52.78 -43.0 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 80.5 p -76.26 -26.87 56.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.417 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -65.96 155.79 85.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.569 0.699 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.7 Cg_endo -69.84 176.26 7.07 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.9 m -47.29 -58.97 3.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -81.61 117.19 21.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.422 HG13 ' HB2' ' A' ' 80' ' ' ASN . 21.8 t -126.72 147.98 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 28' ' ' ILE . 71.8 tttt -101.67 122.91 44.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.648 HD11 HD13 ' A' ' 38' ' ' LEU . 11.9 mt -111.79 120.59 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.537 HG22 HG12 ' A' ' 28' ' ' ILE . 97.7 t -111.09 99.94 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.58 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 26.0 p90 -123.89 176.86 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.756 HD11 ' O ' ' A' ' 24' ' ' GLY . 6.2 tt -121.52 125.68 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -80.0 87.07 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -116.08 114.75 24.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.78 ' O ' HG22 ' A' ' 114' ' ' VAL . 2.8 pp20? -65.08 -27.08 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.3 -28.83 64.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.23 -36.84 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.78 HG22 ' O ' ' A' ' 111' ' ' GLU . 26.7 m -43.05 -39.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.459 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 28.8 m-80 -83.08 -42.95 16.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -57.62 -62.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.711 ' SD ' HG12 ' A' ' 56' ' ' VAL . 26.0 ptt? -48.56 143.69 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' ASP . 62.7 p -87.19 140.03 29.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -34.44 -61.88 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -44.35 -44.72 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' THR . 6.2 mmpt? -70.97 -37.57 72.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.673 HG22 HD21 ' A' ' 26' ' ' LEU . 96.4 mt -62.26 -54.11 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.678 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 23.7 ptt180 -59.75 -41.41 90.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -72.84 -31.26 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.3 ttm-85 -69.35 -40.05 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -108.15 14.13 25.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -64.36 -18.41 64.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -73.79 -29.39 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.6 mt -52.37 151.71 7.08 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -49.3 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.599 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.27 -177.47 7.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -107.93 124.76 50.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.673 HD21 HG22 ' A' ' 15' ' ' ILE . 7.8 tp -62.29 130.1 43.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -131.11 100.84 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.616 HG21 ' HE3' ' A' ' 104' ' ' LYS . 40.2 mt -93.15 120.54 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.87 HD12 HD21 ' A' ' 31' ' ' LEU . 33.5 pt -133.57 143.02 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -97.88 113.1 24.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.87 HD21 HD12 ' A' ' 29' ' ' ILE . 21.5 mt -113.86 120.26 40.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -78.64 124.95 28.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -51.42 112.81 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' ASN . 20.7 t70 -71.25 175.69 5.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 24.0 tptp -34.35 -34.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' ASP . 8.9 t-20 -105.72 -31.01 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.429 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 122.71 -157.09 17.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.606 HD23 ' HG3' ' A' ' 63' ' ' PRO . 25.8 mt -84.17 95.75 8.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.361 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.6 106.34 2.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 58' ' ' ILE . 28.5 mt -146.75 135.46 22.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.5 m -87.29 125.59 34.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.9 mt -112.53 147.64 36.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.75 133.83 15.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.92 155.73 41.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' LYS . 34.2 t-20 -63.1 142.13 58.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' ASN . 29.7 mttp -34.23 -51.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -86.61 108.28 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -44.24 -53.34 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 m -40.09 -34.29 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -89.58 102.97 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.1 tpp -84.08 104.23 13.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -147.3 148.66 31.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.7 mt -110.85 121.3 63.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 79.1 m-85 -117.77 173.26 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.563 HG21 ' CE ' ' A' ' 70' ' ' MET . 87.6 t -115.06 87.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.0 m -87.06 24.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.07 144.73 4.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 40' ' ' LEU . 91.2 mt -132.41 110.38 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 4.2 t-20 -47.8 121.77 8.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -27.54 26.05 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.43 ' CG ' ' OD1' ' A' ' 59' ' ' ASN . 11.9 pt-20 -91.18 -10.87 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.39 -178.7 52.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.606 ' HG3' HD23 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.72 -46.3 1.29 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.46 -43.11 11.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -69.83 -50.67 40.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.063 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.62 -51.29 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -57.99 -44.75 87.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.52 42.63 21.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' ' NH2' ' A' ' 109' ' ' ARG . 3.4 mmp_? -121.49 -50.23 2.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.804 ' HG3' HD11 ' A' ' 29' ' ' ILE . 18.5 mtp -67.13 137.46 56.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -128.13 172.88 10.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.414 HG22 ' CE ' ' A' ' 117' ' ' MET . 6.8 mm -77.16 119.16 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.79 -19.28 6.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.481 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.479 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 66.2 m-20 -58.68 136.95 57.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 29.8 tt0 -108.48 95.74 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -46.49 140.53 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -123.76 -41.49 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -143.8 152.91 41.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.58 HG12 HD23 ' A' ' 105' ' ' LEU . 67.6 mt -153.55 121.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.4 t30 58.91 33.11 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 73.54 39.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -139.86 114.52 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.3 mt -70.83 126.81 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.525 ' CD2' HD12 ' A' ' 95' ' ' ILE . 9.8 mt -98.59 -24.86 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -42.93 105.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.02 24.13 7.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -137.73 168.22 20.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.765 0.317 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.5 p -79.54 147.43 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -57.09 -33.22 67.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -59.92 -36.46 77.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 68.5 m-20 -65.83 -46.72 77.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.88 -60.21 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.7 t -47.73 -43.62 27.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -55.14 -49.31 72.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 84' ' ' LEU . 71.2 mt -54.72 -40.95 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 58.1 mt -64.13 -47.37 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -50.34 -44.1 54.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.0 p -75.68 -24.97 56.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.49 151.75 96.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.711 . . . . 0.0 111.058 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.9 Cg_endo -69.76 168.33 21.89 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' PRO . 8.2 m -38.05 -62.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.59 118.12 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.57 141.85 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.616 ' HE3' HG21 ' A' ' 28' ' ' ILE . 38.3 tttp -98.75 109.95 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.705 ' CD1' HD12 ' A' ' 31' ' ' LEU . 4.8 mt -97.59 138.87 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 67.0 t -127.76 104.23 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.55 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 46.8 p90 -129.81 173.12 10.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.599 HD11 ' C ' ' A' ' 24' ' ' GLY . 10.2 tt -117.17 144.25 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 69' ' ' ARG . 26.2 ttm180 -99.84 83.13 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -105.35 107.94 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 114' ' ' VAL . 10.0 tp10 -59.03 -16.77 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -89.52 -14.2 35.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -67.21 -46.0 75.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.1 m -42.77 -28.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -83.27 -35.37 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 113' ' ' ALA . 68.4 mt-30 -72.88 -47.45 45.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.527 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.63 120.14 6.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.766 ' O ' HD11 ' A' ' 15' ' ' ILE . 96.3 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.91 0.386 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 12' ' ' ASP . 27.5 p -75.44 135.33 40.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.619 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.1 m-20 -34.73 -40.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.53 -51.48 67.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' THR . 15.4 mmtp -70.04 -21.02 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.766 HD11 ' O ' ' A' ' 10' ' ' PHE . 57.9 mt -77.93 -53.94 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.874 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 11.9 ptm180 -58.78 -35.69 73.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -75.7 -35.18 60.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.476 ' HG2' ' CD2' ' A' ' 19' ' ' TYR . 2.9 ttp-105 -68.9 -43.22 75.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 18' ' ' ARG . 86.7 m-85 -103.56 16.72 25.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.874 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -68.76 -23.16 64.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -72.1 -24.21 61.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' A' ' 108' ' ' ILE . 26.2 mt -55.49 151.21 21.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.734 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.722 2.281 . . . . 0.0 112.298 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.581 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.03 -169.54 3.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.407 ' C ' HG13 ' A' ' 108' ' ' ILE . 6.1 tt0 -113.94 126.97 55.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 16' ' ' ARG . 4.2 tp -69.21 134.51 49.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -136.04 107.7 7.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.524 HG21 ' HE3' ' A' ' 104' ' ' LYS . 45.2 mt -98.76 120.55 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.9 HD11 ' HG3' ' A' ' 70' ' ' MET . 35.7 pt -137.96 141.37 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -92.37 115.24 27.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.441 HD12 ' CD1' ' A' ' 105' ' ' LEU . 25.6 mt -108.68 119.08 38.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -83.21 111.36 18.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -39.46 120.12 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 36' ' ' ASN . 14.2 t0 -84.69 -175.79 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' ASP . 7.0 ptmm? -35.59 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' ASP . 39.6 m-20 -116.55 -13.82 10.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 98.85 -166.53 21.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.914 HD13 HD11 ' A' ' 105' ' ' LEU . 9.9 mt -68.14 105.33 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.4 117.01 5.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.538 HD21 ' CB ' ' A' ' 64' ' ' ALA . 19.3 mt -150.35 136.74 18.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.8 m -85.59 107.35 17.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.456 HD22 ' CG2' ' A' ' 53' ' ' ILE . 25.3 mt -96.84 146.6 24.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -149.8 114.54 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.458 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -47.6 148.82 3.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -47.09 145.19 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 33.4 mttm -46.42 -49.52 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.63 114.62 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -50.71 -50.16 55.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' ARG . 2.0 m -36.93 -37.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -87.87 151.53 22.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.63 119.16 22.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -170.22 167.03 8.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.897 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 92' ' ' ALA . 47.7 mt -116.17 133.02 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 75' ' ' GLU . 75.3 m-85 -129.36 168.89 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 74' ' ' ASP . 94.7 t -115.64 90.04 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.758 HG12 ' SD ' ' A' ' 117' ' ' MET . 5.1 m -88.01 20.52 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.66 152.42 8.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -134.56 98.86 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 4.3 t-20 -40.11 122.51 1.63 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -8.01 22.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -102.79 -14.94 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.06 176.86 50.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.487 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.5 Cg_endo -69.81 -41.83 3.88 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.538 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -49.4 -35.07 17.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -78.73 -33.35 46.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.92 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -66.96 -50.7 61.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.61 -22.03 35.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -41.65 96.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.9 ' HG3' HD11 ' A' ' 29' ' ' ILE . 6.0 mtp -72.61 137.02 45.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -134.13 174.81 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.42 HG22 ' CE ' ' A' ' 117' ' ' MET . 5.7 mm -75.01 121.1 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.25 -17.59 8.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.494 ' OD2' ' CE1' ' A' ' 107' ' ' PHE . 98.9 m-20 -58.48 125.1 21.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.553 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 47.1 tt0 -101.1 101.33 12.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.623 HD13 HD11 ' A' ' 79' ' ' ILE . 97.7 mt -49.77 144.61 6.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.5 mt -123.7 -41.78 2.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.433 ' C ' HG13 ' A' ' 79' ' ' ILE . 64.4 mt-10 -147.14 156.38 42.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.623 HD11 HD13 ' A' ' 76' ' ' LEU . 85.8 mt -152.85 136.31 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 40.85 35.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 73.55 48.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -145.63 109.08 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.9 mt -68.1 124.81 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.547 ' CD2' ' CD1' ' A' ' 95' ' ' ILE . 11.2 mt -98.3 -22.23 16.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -46.73 97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 114.51 23.3 4.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -137.71 179.94 6.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.319 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -91.94 155.29 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.526 ' CE1' ' HG2' ' A' ' 90' ' ' GLN . 27.9 p80 -60.71 -34.46 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLN . . . . . 0.526 ' HG2' ' CE1' ' A' ' 89' ' ' HIS . 14.0 mm100 -56.21 -32.14 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 3.1 m120 -68.23 -46.86 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -46.76 -69.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.7 p -39.4 -44.72 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -57.92 -46.02 85.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ILE . . . . . 0.547 ' CD1' ' CD2' ' A' ' 84' ' ' LEU . 53.2 mt -58.1 -42.53 83.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.82 -46.51 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -52.01 -43.77 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.2 p -72.96 -24.8 60.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.413 ' HB1' HG22 ' A' ' 103' ' ' VAL . . . -72.22 153.77 92.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 111.101 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -168.81 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.1 p -54.52 -59.78 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -83.18 106.16 14.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.489 ' HB ' HD11 ' A' ' 38' ' ' LEU . 38.9 t -112.47 128.75 68.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.524 ' HE3' HG21 ' A' ' 28' ' ' ILE . 22.9 tttp -79.64 124.42 28.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.914 HD11 HD13 ' A' ' 38' ' ' LEU . 11.6 mt -117.47 117.87 30.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.0 t -112.0 106.89 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.495 ' CZ ' ' HG2' ' A' ' 70' ' ' MET . 41.6 p90 -130.7 177.89 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.581 HD11 ' C ' ' A' ' 24' ' ' GLY . 8.0 tt -128.75 122.15 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -86.38 111.27 20.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -127.07 161.34 28.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.74 ' O ' HG22 ' A' ' 114' ' ' VAL . 17.0 pt-20 -89.57 -22.39 22.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -83.67 -23.91 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.66 -32.23 63.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 111' ' ' GLU . 21.5 m -68.28 -25.65 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASN . . . . . 0.539 ' OD1' HG23 ' A' ' 114' ' ' VAL . 24.6 m-20 -95.34 -12.89 25.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -94.22 -62.29 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.758 ' SD ' HG12 ' A' ' 56' ' ' VAL . 23.1 ptt? -47.26 138.6 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . 0.663 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 m 49.3 41.72 20.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.378 . . . . 0.0 110.868 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 p -139.53 131.46 27.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.31 -120.73 2.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -73.36 104.17 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 m -87.46 151.72 22.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.74 85.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.16 40.2 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.86 -7.32 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -105.21 13.29 30.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 p -74.36 139.12 43.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.96 -57.51 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -46.59 -41.16 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -75.85 -34.19 60.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.595 HG22 HD21 ' A' ' 26' ' ' LEU . 86.9 mt -65.58 -49.48 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.699 ' HA ' HD22 ' A' ' 26' ' ' LEU . 24.8 ptt180 -64.31 -39.52 94.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -74.69 -29.53 61.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -70.13 -39.26 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CG ' HD13 ' A' ' 77' ' ' LEU . 80.1 m-85 -107.06 12.35 28.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.7 -19.88 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.48 -29.73 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.44 ' HB3' HD13 ' A' ' 108' ' ' ILE . 28.4 mt -55.56 151.26 21.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.22 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.368 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.79 -166.95 0.32 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -121.59 122.06 38.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.5 tp -56.52 129.28 40.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -128.27 100.18 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.7 mt -95.56 110.38 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.933 HD11 ' HG3' ' A' ' 70' ' ' MET . 38.3 pt -129.36 138.48 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -94.85 119.47 33.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 64' ' ' ALA . 57.2 mt -117.79 120.21 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -75.51 113.54 13.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -41.37 128.86 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 36' ' ' ASN . 20.4 t70 -87.9 175.84 7.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 34' ' ' ASP . 48.3 mtmt -34.24 -34.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' ASP . 3.7 t30 -106.52 -27.96 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 112.76 -167.32 12.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.696 HD23 ' HG3' ' A' ' 63' ' ' PRO . 20.0 mt -69.27 86.14 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.01 98.37 1.71 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.514 HD21 ' CB ' ' A' ' 64' ' ' ALA . 9.3 mt -136.96 136.77 38.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -83.07 114.75 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.428 HD22 HG22 ' A' ' 53' ' ' ILE . 43.3 mt -103.5 151.18 23.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.5 136.83 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.0 168.96 28.06 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' LYS . 23.4 t-20 -71.99 145.99 47.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' ASN . 46.4 mttm -35.05 -51.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -92.9 117.35 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -46.04 -52.16 12.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.9 m -42.28 -35.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -89.43 113.18 24.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.4 mmm -92.83 127.63 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -175.02 129.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.428 HG22 HD22 ' A' ' 42' ' ' LEU . 16.5 mt -92.56 114.02 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 117' ' ' MET . 62.9 m-85 -108.47 163.28 13.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 72' ' ' ILE . 57.9 t -105.75 96.89 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG11 ' HA ' ' A' ' 119' ' ' SER . 10.0 m -95.18 19.57 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.4 150.02 7.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 59' ' ' ASN . 93.8 mt -133.63 95.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 58' ' ' ILE . 41.3 t30 -37.71 120.64 0.95 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.649 0.738 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -5.75 16.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -104.62 -14.9 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.2 -178.32 52.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.696 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.4 Cg_endo -69.79 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.328 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.514 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -43.84 -34.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -76.25 -44.09 39.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.88 76.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -58.59 -44.69 89.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.97 33.28 41.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -110.53 -51.38 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.933 ' HG3' HD11 ' A' ' 29' ' ' ILE . 13.4 mtp -65.92 144.98 56.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -136.35 175.83 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 55' ' ' VAL . 9.2 mm -78.12 124.55 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.46 ' HA2' ' CE ' ' A' ' 117' ' ' MET . . . 122.51 -17.87 8.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.548 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 72.9 m-20 -59.63 141.27 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.484 ' HB3' HG22 ' A' ' 108' ' ' ILE . 39.3 tt0 -113.36 95.32 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' A' ' 107' ' ' PHE . 79.0 mt -48.59 139.44 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.562 HD13 ' CG ' ' A' ' 19' ' ' TYR . 27.2 mt -123.45 -40.74 2.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -147.58 151.75 36.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.632 HG13 HD11 ' A' ' 84' ' ' LEU . 24.0 mt -149.95 117.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.081 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 60.41 44.36 12.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 63.58 44.05 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -145.48 111.76 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.7 mt -68.81 130.6 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.632 HD11 HG13 ' A' ' 79' ' ' ILE . 9.3 mt -102.01 -23.61 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -42.86 109.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.96 -39.03 2.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -74.82 165.91 24.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.8 m -83.81 141.14 31.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 21.2 p80 -39.92 -42.02 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.563 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 38.3 mt-30 -49.16 -44.68 42.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -57.93 -53.49 57.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 95' ' ' ILE . . . -39.29 -60.45 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.066 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.0 p -48.42 -45.78 36.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.58 74.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.504 HD12 ' CD2' ' A' ' 84' ' ' LEU . 40.2 mt -56.44 -44.16 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.48 -43.93 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -53.14 -44.82 68.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.1 p -75.84 -24.8 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.43 150.34 97.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.8 Cg_endo -69.72 170.5 16.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' PRO . 1.1 t -36.98 -59.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -80.16 126.25 30.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.78 129.32 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -87.16 113.93 23.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 38' ' ' LEU . 6.0 mt -100.5 123.2 44.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 15' ' ' ILE . 88.5 t -115.26 101.0 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.569 ' HB3' HD23 ' A' ' 76' ' ' LEU . 17.8 p90 -126.54 -178.18 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.484 HG22 ' HB3' ' A' ' 75' ' ' GLU . 7.2 tt -124.91 145.38 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 -106.41 112.07 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -133.98 122.87 23.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -10.45 21.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.82 -19.11 19.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -50.37 -51.64 44.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 29.0 m -47.3 -30.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -81.52 -26.59 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' ALA . 61.0 mt-30 -81.65 -54.01 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.526 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -42.68 165.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -92.89 -28.76 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.596 ' HA ' HG11 ' A' ' 56' ' ' VAL . 5.9 t 56.06 53.94 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.862 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.99 81.67 0.12 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -22.12 32.45 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.244 . . . . 0.0 112.375 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.5 m 50.34 52.11 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 90.9 p -80.83 -46.21 15.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -39.65 149.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -126.9 128.14 46.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.5 122.48 2.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -73.27 115.7 12.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -104.87 156.37 18.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.13 -20.68 48.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.95 39.53 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.63 -10.8 44.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.059 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -97.82 13.27 31.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' LYS . 40.4 p -73.65 141.65 46.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.26 -55.37 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -50.88 -36.43 37.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' THR . 53.2 mmtt -76.82 -37.69 55.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.572 HG22 HD21 ' A' ' 26' ' ' LEU . 79.9 mt -65.22 -53.15 43.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.758 ' HA ' HD22 ' A' ' 26' ' ' LEU . 13.2 ptm180 -59.4 -31.76 69.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -83.49 -29.29 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -71.24 -41.39 70.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.831 ' CE1' HD22 ' A' ' 77' ' ' LEU . 83.0 m-85 -103.21 13.07 34.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.2 -25.31 68.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.086 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.04 -24.51 64.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.6 ' HB3' HD13 ' A' ' 108' ' ' ILE . 21.5 mt -56.25 152.55 22.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.63 0.728 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.44 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.691 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -68.47 -167.54 4.51 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -115.16 127.68 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.758 HD22 ' HA ' ' A' ' 16' ' ' ARG . 6.6 tp -64.34 128.72 37.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -132.94 105.59 7.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.667 HG12 HG22 ' A' ' 106' ' ' VAL . 17.1 mt -98.11 117.01 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.971 HD11 ' HG3' ' A' ' 70' ' ' MET . 47.7 pt -131.88 137.51 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -94.19 120.96 35.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 64' ' ' ALA . 35.6 mt -120.32 119.75 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -75.67 116.75 16.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HA ' HD23 ' A' ' 38' ' ' LEU . 14.3 mtmt -44.09 122.41 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' GLY . 24.7 t0 -78.19 176.06 9.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 24.7 ttpt -34.39 -37.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' ASP . 34.7 m120 -103.18 -25.73 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 107.73 170.68 21.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD12 HD13 ' A' ' 96' ' ' ILE . 5.2 mt -42.67 112.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.36 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.49 103.38 2.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 64' ' ' ALA . 6.7 mt -146.72 135.53 22.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.3 m -87.36 115.58 24.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 mt -100.81 152.22 20.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -153.9 139.04 17.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.35 158.69 48.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 38.1 t-20 -60.86 146.27 47.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 38.3 mttm -34.46 -48.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -91.58 106.21 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.4 tpt180 -43.53 -53.49 5.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ARG . 32.7 t -35.27 -39.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -80.66 138.4 36.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.0 tpp -108.69 102.83 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -151.46 149.14 28.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.794 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.408 HD13 ' HB2' ' A' ' 92' ' ' ALA . 19.9 mt -113.15 135.34 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.524 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 76.6 m-85 -132.09 178.81 6.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.539 HG21 ' HE2' ' A' ' 70' ' ' MET . 56.0 t -118.39 88.34 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.531 HG11 ' HA ' ' A' ' 119' ' ' SER . 13.9 m -87.17 22.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.83 150.22 7.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ASN . 83.8 mt -131.99 93.92 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.114 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' ILE . 37.7 t30 -34.92 118.83 0.57 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -6.25 18.11 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.384 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -108.71 -8.9 15.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.09 177.28 49.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -38.78 7.19 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -53.64 -36.67 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -74.02 -40.81 62.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.81 -54.47 46.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.61 -42.18 64.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.97 41.57 40.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -121.76 -52.01 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.971 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.9 mtp -60.77 137.56 58.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -123.73 174.26 7.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 55' ' ' VAL . 12.0 mm -79.7 128.21 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.04 -27.8 7.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 67.1 m-20 -46.67 140.62 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 25.0 tt0 -110.93 101.61 10.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 79' ' ' ILE . 94.5 mt -52.18 135.39 32.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.831 HD22 ' CE1' ' A' ' 19' ' ' TYR . 16.7 mt -117.39 -45.36 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -141.97 152.86 43.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.524 HD11 HD13 ' A' ' 76' ' ' LEU . 50.6 mt -153.67 134.83 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 34.6 t30 45.16 37.43 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 m120 67.96 46.66 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -147.41 106.5 3.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.7 mt -65.14 124.95 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.483 ' CD2' HD12 ' A' ' 95' ' ' ILE . 11.5 mt -92.4 -33.03 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LEU . 54.7 t80 -35.79 98.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.99 14.37 7.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -129.88 172.7 11.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -89.16 149.01 23.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -53.22 -28.35 26.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -64.38 -37.03 86.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.401 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 22.9 m-20 -69.58 -43.52 72.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -44.97 -59.26 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.5 p -52.9 -41.24 64.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -55.8 -43.57 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.483 HD12 ' CD2' ' A' ' 84' ' ' LEU . 61.5 mt -62.32 -42.17 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.528 HD13 HD12 ' A' ' 38' ' ' LEU . 71.6 mt -63.94 -44.43 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -53.91 -42.92 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.3 p -74.89 -24.73 58.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.38 151.8 95.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.097 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 172.44 12.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.36 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -40.32 -65.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -73.67 115.33 12.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 36.2 t -125.17 143.95 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.596 ' HE3' HG21 ' A' ' 28' ' ' ILE . 50.1 tttt -101.86 118.0 36.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mt -106.35 130.28 54.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.667 HG22 HG12 ' A' ' 28' ' ' ILE . 90.2 t -119.81 99.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 35.5 p90 -128.34 168.71 15.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.691 HD11 ' C ' ' A' ' 24' ' ' GLY . 5.5 tt -116.73 131.47 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -87.55 85.72 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 113' ' ' ALA . 30.5 t-20 -103.99 123.96 48.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.73 ' O ' HG22 ' A' ' 114' ' ' VAL . 12.6 pt-20 -59.63 -40.86 88.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.77 -22.04 66.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -49.74 -56.33 10.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 111' ' ' GLU . 34.6 m -43.12 -37.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -70.87 -32.57 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' ALA . 93.0 mm-40 -75.2 -65.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.524 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -42.1 128.33 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.99 -45.89 64.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.531 ' HA ' HG11 ' A' ' 56' ' ' VAL . 3.3 t 74.64 38.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -154.09 84.85 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 126.71 13.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 m -74.18 157.95 35.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.2 t -172.54 138.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.3 t -114.02 168.51 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 24.8 p -37.3 154.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.87 -135.9 9.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -144.73 132.57 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -69.26 78.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.21 66.06 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.68 21.51 5.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.335 . . . . 0.0 110.835 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.96 -2.07 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -106.67 23.41 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.5 p -83.91 144.29 29.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -64.21 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -41.79 -40.43 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -74.45 -36.52 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.39 -49.11 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.643 ' HA ' HD22 ' A' ' 26' ' ' LEU . 22.2 ptt180 -64.08 -41.32 97.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -73.44 -27.5 61.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -73.02 -39.52 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.552 ' CE1' HD22 ' A' ' 77' ' ' LEU . 78.6 m-85 -105.58 13.15 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.68 -21.13 66.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.62 -27.11 61.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.555 ' HB3' HD13 ' A' ' 108' ' ' ILE . 27.1 mt -54.18 152.03 11.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -49.83 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.315 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.719 ' O ' HD11 ' A' ' 108' ' ' ILE . . . -69.17 -177.82 17.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -104.66 132.95 50.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' ' 16' ' ' ARG . 6.1 tp -67.5 131.36 45.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -132.81 95.21 3.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.575 HG21 ' HE3' ' A' ' 104' ' ' LYS . 37.6 mt -91.59 109.07 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.885 HD11 ' HG3' ' A' ' 70' ' ' MET . 29.5 pt -123.77 139.38 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -91.36 120.6 32.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.481 HD12 ' CD1' ' A' ' 105' ' ' LEU . 58.4 mt -117.5 131.69 56.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.43 120.64 33.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' HD3' HG22 ' A' ' 96' ' ' ILE . 14.6 mtmt -48.33 113.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -71.59 179.17 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -42.22 -28.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -111.88 -14.87 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 97.32 169.31 33.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.733 HD13 HD11 ' A' ' 105' ' ' LEU . 11.9 mt -48.41 121.35 4.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.407 ' C ' ' HG ' ' A' ' 40' ' ' LEU . . . -110.6 113.21 3.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.495 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.6 mt -148.83 138.94 22.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.809 0.337 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -88.47 101.81 14.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 mt -89.73 153.86 20.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.93 122.69 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -56.72 138.31 47.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.523 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' GLY . 28.8 t-20 -34.87 149.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.719 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 61.2 mttm -46.74 -42.51 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.54 121.87 30.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -56.5 -48.33 77.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.1 m -48.17 -28.78 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 -73.4 155.09 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 tpt -135.0 93.28 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.6 162.41 32.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.0 mt -113.09 133.86 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.533 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 67.1 m-85 -132.08 163.24 28.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.2 t -109.25 106.47 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.867 HG11 ' O ' ' A' ' 118' ' ' ALA . 14.1 m -100.96 5.41 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.26 149.77 11.52 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.419 HG13 ' CD1' ' A' ' 72' ' ' ILE . 81.4 mt -132.43 103.63 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -44.65 121.45 4.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.601 0.715 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -11.44 30.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -100.45 -17.2 17.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.7 175.62 54.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -38.14 8.32 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.495 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -51.64 -32.59 29.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.42 -35.1 58.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.05 93.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -62.76 -52.47 63.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.26 -15.65 57.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -40.51 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.885 ' HG3' HD11 ' A' ' 29' ' ' ILE . 5.5 mtp -72.03 136.36 46.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -132.93 171.04 14.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.419 ' CD1' HG13 ' A' ' 58' ' ' ILE . 5.9 mm -74.42 120.2 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.7 -16.54 6.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.541 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.3 m-20 -54.12 153.66 4.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.75 0.309 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -126.0 95.5 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.8 mt -51.05 128.21 21.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' A' ' 19' ' ' TYR . 12.2 mt -109.03 -44.12 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -146.61 154.73 41.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.543 HG12 HD23 ' A' ' 105' ' ' LEU . 89.1 mt -150.86 143.07 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 79' ' ' ILE . 29.8 t30 35.1 50.03 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m120 58.04 54.27 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -156.9 105.24 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.87 129.18 28.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 79' ' ' ILE . 9.1 mt -97.43 -30.67 12.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' LEU . 48.2 t80 -36.12 100.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.98 26.55 4.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -135.83 -176.19 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -101.71 142.93 32.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -50.01 -27.03 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -61.91 -33.18 73.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -68.8 -54.37 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -37.94 -57.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.4 t -51.77 -42.14 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.42 94.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.496 HD12 ' CD2' ' A' ' 84' ' ' LEU . 92.7 mt -59.73 -42.69 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.438 HG22 ' HD3' ' A' ' 33' ' ' LYS . 66.5 mt -64.57 -45.41 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.16 -44.81 68.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.9 p -73.86 -26.49 60.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.21 153.57 94.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 171.49 14.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 m -40.66 -59.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -81.63 113.43 19.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.3 t -122.32 148.76 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.575 ' HE3' HG21 ' A' ' 28' ' ' ILE . 79.4 tttt -103.25 130.78 50.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.733 HD11 HD13 ' A' ' 38' ' ' LEU . 9.8 mt -120.58 120.08 34.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.528 HG22 HG12 ' A' ' 28' ' ' ILE . 96.1 t -112.13 102.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.556 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 31.2 p90 -128.94 172.99 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.719 HD11 ' O ' ' A' ' 24' ' ' GLY . 8.0 tt -120.47 134.76 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -92.7 83.39 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -102.18 113.8 27.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.76 ' O ' HG22 ' A' ' 114' ' ' VAL . 16.5 pt-20 -52.61 -33.56 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -26.57 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -49.91 -53.64 24.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.4 m -41.9 -29.18 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -84.36 -43.09 15.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -68.1 -61.24 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.533 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 13.3 ptt? -46.64 152.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.867 ' O ' HG11 ' A' ' 56' ' ' VAL . . . -98.22 154.18 17.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -117.35 122.34 43.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 127.95 79.9 0.28 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 143.64 51.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.415 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.2 t -163.55 168.25 20.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 11.3 t -70.8 116.23 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -126.47 164.18 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 55.85 41.88 29.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.61 51.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -46.52 131.53 11.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -76.25 100.95 5.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.95 -26.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.5 30.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.761 0.315 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.82 -7.59 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -100.86 15.69 27.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' ASP . 23.8 p -81.36 138.29 35.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.8 t70 -37.5 -62.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' ASP . 15.6 pt20 -38.13 -40.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -79.8 -36.84 36.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.707 HG21 HG11 ' A' ' 106' ' ' VAL . 77.6 mt -62.98 -49.72 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.749 ' HA ' HD22 ' A' ' 26' ' ' LEU . 12.1 ptt85 -59.84 -43.62 94.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -73.57 -27.91 61.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -71.73 -42.77 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -104.49 17.97 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -66.56 -21.41 66.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -68.21 -31.81 71.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HB3' HD13 ' A' ' 108' ' ' ILE . 33.8 mt -50.58 151.67 3.89 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.722 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.254 . . . . 0.0 112.329 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.76 -157.06 0.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.531 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -127.98 130.27 48.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.749 HD22 ' HA ' ' A' ' 16' ' ' ARG . 6.1 tp -66.58 129.23 39.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -133.73 102.5 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.745 HG21 ' HE3' ' A' ' 104' ' ' LYS . 33.7 mt -94.9 111.05 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.859 HD12 HD21 ' A' ' 31' ' ' LEU . 29.3 pt -121.19 143.64 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -98.91 116.98 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.859 HD21 HD12 ' A' ' 29' ' ' ILE . 16.8 mt -118.39 123.01 44.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' LYS . 8.6 tt0 -83.37 111.14 18.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' GLU . 6.1 mtmp? -35.05 122.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.5 t70 -80.23 178.37 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.8 mtpt -36.49 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' ASP . 6.5 m-80 -108.81 -36.01 6.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.0 -171.99 18.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.698 HD23 ' HG3' ' A' ' 63' ' ' PRO . 14.6 mt -69.35 85.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.55 106.75 2.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.6 mt -144.78 133.88 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -83.31 115.19 21.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.62 144.17 33.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.94 118.99 6.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -45.27 160.14 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.1 t-20 -59.98 144.96 47.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 44.8 mttm -37.0 -49.42 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -85.4 108.76 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 49' ' ' SER . 7.4 tpt180 -46.46 -53.01 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' ARG . 17.5 m -37.3 -38.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -80.95 143.68 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.7 tpt -117.56 95.09 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -148.73 145.49 27.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.491 HD13 ' HB2' ' A' ' 92' ' ' ALA . 45.0 mt -101.96 139.82 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.54 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 79.9 m-85 -136.4 176.27 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.545 HG21 ' CE ' ' A' ' 70' ' ' MET . 84.5 t -120.32 105.96 17.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.601 ' HA ' ' HE3' ' A' ' 117' ' ' MET . 5.2 m -102.81 9.44 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.39 153.79 17.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.4 mt -134.68 97.62 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.352 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -43.48 122.2 3.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.714 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.49 18.75 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.731 2.287 . . . . 0.0 112.309 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -101.28 -15.65 17.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.36 179.55 52.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.538 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.698 ' HG3' HD23 ' A' ' 38' ' ' LEU . 54.2 Cg_endo -69.8 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.38 -36.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.37 -39.94 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.13 -47.44 77.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -61.01 -41.37 96.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.85 41.83 27.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -117.08 -60.05 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.711 ' HG3' HD11 ' A' ' 29' ' ' ILE . 8.4 mtp -57.54 151.39 16.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -139.26 176.47 8.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.2 mm -81.64 118.6 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.59 -21.24 6.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -53.23 158.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.501 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 33.8 tt0 -130.29 98.27 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.722 HD13 HD11 ' A' ' 79' ' ' ILE . 95.1 mt -51.74 131.36 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.2 mt -113.08 -40.42 3.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -147.34 150.59 35.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.722 HD11 HD13 ' A' ' 76' ' ' LEU . 41.1 mt -149.83 131.36 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 33.8 t30 49.3 38.59 14.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 67.58 49.93 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -150.89 105.27 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.3 mt -64.23 125.7 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' GLY . 11.9 mt -94.39 -26.06 16.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -40.14 94.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 114.69 30.1 2.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -140.7 174.45 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.6 p -92.49 141.8 28.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.471 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 22.3 p80 -48.03 -41.27 25.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.471 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 80.0 mt-30 -51.33 -36.93 45.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -68.71 -47.86 65.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.491 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -43.35 -55.12 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -52.46 -41.03 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.92 87.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.431 HD12 ' CD2' ' A' ' 84' ' ' LEU . 82.7 mt -58.66 -43.06 86.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.422 HD13 HD12 ' A' ' 38' ' ' LEU . 86.0 mt -63.79 -44.51 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -53.53 -43.77 68.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.1 p -75.07 -27.18 59.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.14 150.94 97.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.8 Cg_endo -69.74 168.6 21.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 100' ' ' PRO . 2.1 m -34.89 -59.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -82.64 119.05 23.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.0 t -127.03 133.5 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.745 ' HE3' HG21 ' A' ' 28' ' ' ILE . 14.1 tttp -87.29 119.96 28.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.808 ' CD1' HD12 ' A' ' 31' ' ' LEU . 6.6 mt -109.38 121.6 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.707 HG11 HG21 ' A' ' 15' ' ' ILE . 89.3 t -114.01 103.56 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 33.5 p90 -130.64 179.67 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.457 HD13 ' HB3' ' A' ' 22' ' ' LEU . 10.1 tt -123.56 133.56 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 tpp85 -90.91 89.43 7.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 112' ' ' ASP . 24.8 t-20 -115.47 107.41 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.895 ' O ' HG22 ' A' ' 114' ' ' VAL . 14.3 pt-20 -51.31 -39.0 55.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 30.8 t0 -62.15 -28.37 69.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.46 -43.77 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.895 HG22 ' O ' ' A' ' 111' ' ' GLU . 35.0 m -41.92 -34.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -82.71 -41.79 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -61.37 -63.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.601 ' HE3' ' HA ' ' A' ' 56' ' ' VAL . 22.6 ptt? -48.9 145.89 3.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.6 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -83.18 171.09 14.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.1 p -119.26 118.98 32.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 132.46 85.58 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.41 3.56 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 2.274 . . . . 0.0 112.299 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 t -99.83 37.64 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.5 t -51.43 140.8 16.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.471 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -151.77 157.93 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 m -99.14 170.73 8.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.36 55.94 25.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 p -48.01 112.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.845 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -158.86 111.26 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.35 75.5 0.29 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.91 36.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.88 -5.46 58.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.55 ' O ' HD11 ' A' ' 15' ' ' ILE . 94.5 m-85 -106.57 16.63 24.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' ASP . 20.9 p -72.78 135.96 45.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -34.33 -49.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -52.11 -50.65 61.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -70.34 -30.65 67.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.826 HG22 HD21 ' A' ' 26' ' ' LEU . 73.0 mt -65.13 -47.27 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.781 ' HA ' HD22 ' A' ' 26' ' ' LEU . 6.5 ptm180 -68.37 -36.62 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -76.63 -28.52 56.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -68.87 -45.0 72.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' HB2' HD13 ' A' ' 26' ' ' LEU . 98.5 m-85 -103.53 16.91 25.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.99 -18.17 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -73.25 -27.77 61.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.433 ' HB3' HD13 ' A' ' 108' ' ' ILE . 30.3 mt -56.29 151.62 26.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.553 0.692 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -49.65 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.55 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -65.87 -173.64 4.81 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -108.27 119.27 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.826 HD21 HG22 ' A' ' 15' ' ' ILE . 5.1 tp -60.63 128.43 36.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -127.01 109.71 12.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.31 99.6 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.821 HD11 ' HG3' ' A' ' 70' ' ' MET . 23.5 pt -116.11 138.88 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -100.56 118.01 35.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.61 HD13 ' HA ' ' A' ' 64' ' ' ALA . 33.3 mt -114.75 125.91 54.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -81.75 110.29 16.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.626 ' NZ ' HG21 ' A' ' 103' ' ' VAL . 16.2 mtmm -45.66 129.36 8.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 35' ' ' LYS . 23.4 t0 -89.78 175.75 7.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -34.23 -40.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -93.01 -40.98 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.09 178.41 15.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.614 HD13 HD11 ' A' ' 105' ' ' LEU . 28.7 mt -43.29 -49.54 6.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.57 86.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.3 mt -135.97 139.45 43.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.411 ' HB2' ' CA ' ' A' ' 57' ' ' GLY . 52.0 m -84.23 116.22 22.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.2 mt -106.88 153.55 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.88 112.18 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -44.0 133.61 6.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.5 t-20 -34.45 137.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 11.6 mtpp -33.68 -52.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' HB3' ' CG ' ' A' ' 50' ' ' ARG . 7.7 t0 -75.68 127.07 32.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -59.47 -45.42 91.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -64.04 -16.66 62.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' CG ' ' HB3' ' A' ' 47' ' ' ASP . 8.3 mmt180 -86.15 97.17 10.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.2 tpp -78.73 100.06 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 p -166.43 151.63 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 89' ' ' HIS . 66.3 mt -109.92 135.26 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 66.9 m-85 -125.87 165.6 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.446 HG21 ' CE ' ' A' ' 70' ' ' MET . 87.5 t -105.17 104.86 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.472 HG12 ' SD ' ' A' ' 117' ' ' MET . 9.2 m -104.42 20.62 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 41' ' ' SER . . . 170.27 151.99 7.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -135.66 110.54 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -46.72 122.26 7.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.723 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.5 18.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.384 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -104.95 -21.58 13.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.45 175.7 52.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.443 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -35.94 11.86 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.61 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -52.64 -30.54 32.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.49 -35.7 19.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.52 -53.32 36.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -55.73 -34.76 65.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.85 42.24 79.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB2' HD12 ' A' ' 29' ' ' ILE . 2.9 mmp_? -117.81 -58.18 2.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.821 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.2 mtp -61.71 149.2 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -138.93 174.99 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.442 HG23 ' HA ' ' A' ' 56' ' ' VAL . 5.1 mm -81.12 120.64 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . 125.01 -19.83 6.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.447 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.553 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 69.3 m-20 -59.45 130.68 48.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.777 0.322 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 43.1 tt0 -98.37 92.65 5.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.609 HD13 HD11 ' A' ' 79' ' ' ILE . 75.9 mt -44.1 136.36 3.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.454 HD13 ' CG ' ' A' ' 19' ' ' TYR . 19.7 mt -119.38 -34.84 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -151.86 153.32 33.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.609 HD11 HD13 ' A' ' 76' ' ' LEU . 52.3 mt -152.08 129.63 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.576 ' HB2' HG13 ' A' ' 103' ' ' VAL . 50.1 t30 49.59 32.52 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 74.81 44.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -144.06 105.4 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 39.1 mt -64.44 123.79 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 79' ' ' ILE . 14.9 mt -93.87 -26.83 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -41.95 94.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 119.45 13.42 6.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.2 mtt-85 -131.44 162.07 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.906 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.9 t -80.51 154.4 27.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 27.4 p80 -54.42 -42.22 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -49.41 -41.89 40.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -63.24 -48.3 78.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' HA ' HD12 ' A' ' 95' ' ' ILE . . . -44.97 -58.4 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.068 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.4 p -47.05 -47.03 22.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.69 -45.88 63.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 92' ' ' ALA . 56.7 mt -57.35 -45.94 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.476 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 95.4 mt -61.54 -47.02 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -52.63 -36.61 56.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.1 p -87.9 -23.08 24.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.04 148.97 96.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.544 0.688 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 178.47 4.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 m -50.19 -63.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -73.69 107.99 6.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.626 HG21 ' NZ ' ' A' ' 33' ' ' LYS . 17.3 t -123.47 144.56 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.435 ' HD3' ' CG2' ' A' ' 106' ' ' VAL . 5.4 ttmt -98.46 120.56 39.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 38' ' ' LEU . 10.3 mt -106.48 99.86 9.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 104' ' ' LYS . 60.5 t -92.14 108.47 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.553 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 53.1 p90 -135.33 -176.3 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.55 HD11 ' C ' ' A' ' 24' ' ' GLY . 5.9 tt -122.79 135.8 61.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 -95.45 111.58 23.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 111' ' ' GLU . 55.8 t-20 -145.31 147.79 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.717 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.9 pt-20 -84.0 -29.89 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.08 -22.58 59.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.0 65.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 111' ' ' GLU . 31.0 m -51.49 -22.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -88.33 -23.13 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -91.48 -30.16 16.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.539 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -75.87 141.67 42.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -74.61 -175.0 2.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.3 p -145.1 114.35 7.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 130.55 84.77 0.34 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.8 3.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.4 t -103.88 87.28 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 96.7 p -66.83 -46.82 73.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -52.9 -56.31 16.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -87.0 132.61 33.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.76 77.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -70.82 98.09 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.372 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -71.94 -45.25 61.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.68 84.85 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.43 21.14 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.98 1.23 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -109.83 18.6 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 p -75.64 144.42 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.189 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.44 -57.15 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -45.63 -35.33 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -81.01 -36.13 31.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.484 HG22 HD21 ' A' ' 26' ' ' LEU . 77.7 mt -64.18 -45.77 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.673 ' HA ' HD22 ' A' ' 26' ' ' LEU . 24.4 ptt180 -67.54 -42.32 82.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -71.4 -31.18 66.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -70.03 -41.54 74.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.496 ' CE1' HD22 ' A' ' 77' ' ' LEU . 93.8 m-85 -104.17 14.82 29.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -65.9 -20.88 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.82 -32.63 69.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.424 ' HB3' HD13 ' A' ' 108' ' ' ILE . 32.5 mt -50.84 149.55 6.12 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.452 ' HG2' ' ND2' ' A' ' 110' ' ' ASN . 53.6 Cg_endo -69.74 -49.92 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.39 -162.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -121.9 125.0 45.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.673 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.2 tp -62.33 125.99 25.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -128.08 101.88 6.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.512 HG12 HG22 ' A' ' 106' ' ' VAL . 53.4 mt -97.04 110.29 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.475 ' HB ' ' CZ ' ' A' ' 69' ' ' ARG . 11.5 pt -130.27 148.25 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.85 ' O ' HD23 ' A' ' 31' ' ' LEU . 13.9 mp0 -104.07 146.19 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.85 HD23 ' O ' ' A' ' 30' ' ' GLU . 23.0 mt -141.62 120.97 13.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -73.13 111.37 8.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -40.23 123.61 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.3 t0 -80.75 178.57 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -37.53 -28.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' ASP . 10.4 m120 -113.93 -20.2 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 105.95 -166.78 14.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.428 HD23 ' HG3' ' A' ' 63' ' ' PRO . 9.5 mt -68.98 107.98 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.92 108.35 3.66 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.421 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 58' ' ' ILE . 15.7 mt -148.11 137.34 22.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -88.0 108.56 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 mt -96.16 152.72 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.85 127.15 9.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.52 159.98 3.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -65.34 135.39 55.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 116' ' ' GLN . 14.5 mtpp -39.56 -43.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -87.56 108.5 19.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' SER . 11.2 ttm-85 -47.61 -57.24 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' ARG . 17.6 m -36.44 -37.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -85.9 154.86 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.7 tpp -131.15 101.71 5.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -148.78 150.77 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.434 HD13 ' HB2' ' A' ' 92' ' ' ALA . 30.3 mt -111.8 127.78 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.478 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 70.8 m-85 -121.08 174.51 6.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.603 HG21 ' CE ' ' A' ' 70' ' ' MET . 98.9 t -117.66 95.04 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.686 HG11 ' HA ' ' A' ' 119' ' ' SER . 10.1 m -94.56 23.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.75 147.82 6.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.468 HG12 ' CD2' ' A' ' 40' ' ' LEU . 92.3 mt -131.54 101.26 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -44.02 122.11 3.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.99 36.92 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.692 2.261 . . . . 0.0 112.38 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -93.15 -23.93 18.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.99 179.57 49.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.8 Cg_endo -69.76 -47.51 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.517 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -42.21 -32.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.93 -36.18 23.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.2 -53.48 48.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -56.8 -39.92 75.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.59 41.66 28.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.475 ' CZ ' ' HB ' ' A' ' 29' ' ' ILE . 24.0 mtm180 -118.98 -63.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.603 ' CE ' HG21 ' A' ' 55' ' ' VAL . 3.7 mtp -50.43 140.42 13.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -131.29 171.31 13.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.435 HG23 ' HA ' ' A' ' 56' ' ' VAL . 7.2 mm -76.17 128.68 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.5 -23.66 10.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.486 ' OD1' ' CE1' ' A' ' 107' ' ' PHE . 46.2 m-20 -53.74 136.59 39.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' OE2' ' CE1' ' A' ' 54' ' ' PHE . 40.7 tt0 -107.88 103.11 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.2 mt -56.12 139.31 47.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 19' ' ' TYR . 15.2 mt -122.58 -39.06 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -146.68 150.08 34.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.601 HG12 HD23 ' A' ' 105' ' ' LEU . 60.7 mt -149.96 113.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 64.75 46.01 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 62.16 43.88 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -144.81 117.84 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.19 126.84 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.52 ' CD2' HD12 ' A' ' 95' ' ' ILE . 10.7 mt -98.99 -24.92 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -40.81 99.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.26 31.33 3.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -144.39 154.17 42.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 t -70.97 139.78 50.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.558 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 20.0 p80 -41.06 -50.38 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.558 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 48.9 mt-30 -42.84 -42.15 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 6.5 m120 -58.42 -55.56 33.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.434 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -40.87 -59.61 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.0 t -47.79 -45.96 29.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -51.55 -50.15 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.52 HD12 ' CD2' ' A' ' 84' ' ' LEU . 67.6 mt -55.44 -39.91 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.23 -46.38 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -51.54 -45.39 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.0 p -77.5 -19.14 56.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.97 152.48 92.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.075 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 101' ' ' SER . 54.0 Cg_endo -69.78 166.7 26.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' PRO . 66.5 m -35.11 -57.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -82.06 122.04 27.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.1 t -129.14 128.84 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -84.92 120.92 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.601 HD23 HG12 ' A' ' 79' ' ' ILE . 7.1 mt -107.97 123.59 48.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.512 HG22 HG12 ' A' ' 28' ' ' ILE . 92.3 t -115.02 102.82 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 23.6 p90 -130.14 171.11 13.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.424 HD13 ' HB3' ' A' ' 22' ' ' LEU . 11.9 tt -116.67 138.26 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -95.35 94.81 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' ' 23' ' ' PRO . 59.7 t-20 -119.75 123.56 44.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 114' ' ' VAL . 3.2 tp10 -65.38 -11.23 40.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -96.23 -18.68 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -70.43 -18.19 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.3 m -73.32 -15.54 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -104.51 -19.48 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.452 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 75.0 mt-30 -79.52 -33.32 42.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.678 ' SD ' HG12 ' A' ' 56' ' ' VAL . 22.9 ptt? -72.59 125.99 28.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.73 -38.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.686 ' HA ' HG11 ' A' ' 56' ' ' VAL . 8.5 t 61.9 40.93 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -154.49 83.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 91.79 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.7 m -95.91 147.73 23.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.2 m -60.66 175.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.537 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 p -67.97 140.78 56.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -46.81 -53.62 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.25 -49.54 2.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -107.73 115.34 29.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -123.53 127.55 48.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.04 78.84 0.3 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.91 18.15 8.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.766 0.317 . . . . 0.0 110.83 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.77 -10.37 52.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.43 ' O ' HD11 ' A' ' 15' ' ' ILE . 97.2 m-85 -102.5 -0.26 32.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' ASP . 33.1 p -60.49 135.26 57.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.471 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -34.85 -62.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -40.32 -47.8 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -68.67 -33.28 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 12' ' ' ASP . 93.8 mt -66.52 -52.02 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.806 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 13.5 ptm180 -61.95 -29.78 70.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.12 -33.34 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttm-85 -66.45 -45.89 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.679 ' CE1' HD22 ' A' ' 77' ' ' LEU . 85.0 m-85 -99.13 14.08 30.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -68.88 -7.36 33.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -86.6 -19.61 29.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.42 151.53 91.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.359 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.624 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -60.99 -169.81 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.22 132.34 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.627 HD22 ' HA ' ' A' ' 16' ' ' ARG . 5.0 tp -75.42 129.89 38.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -134.19 110.47 9.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.499 HG12 HG22 ' A' ' 106' ' ' VAL . 52.0 mt -100.59 111.53 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.925 HD11 ' HG3' ' A' ' 70' ' ' MET . 18.4 pt -123.07 149.01 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -110.22 111.8 23.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 64' ' ' ALA . 20.7 mt -109.1 129.26 55.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -83.8 112.58 20.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -39.16 132.17 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' GLY . 17.2 t70 -91.1 174.48 7.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 7.0 ttmm -34.25 -39.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -99.52 -27.64 13.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.474 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 124.19 -169.12 16.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.578 HD13 HD11 ' A' ' 105' ' ' LEU . 12.1 mt -55.93 -49.21 74.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.3 88.46 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' CD2' HG12 ' A' ' 58' ' ' ILE . 18.8 mt -142.5 136.55 29.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -83.6 128.59 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -120.33 146.84 45.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.95 120.41 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.21 158.44 3.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -56.61 147.36 22.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' CE ' ' O ' ' A' ' 115' ' ' ASN . 38.5 mttm -37.77 -44.87 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.7 111.63 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' ARG . 44.5 ttt180 -48.48 -54.83 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 48' ' ' ARG . 46.6 m -35.47 -33.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' ARG . 7.5 mtp85 -84.53 134.13 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.5 tpt -104.03 97.22 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 m -153.27 140.03 19.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.2 mt -108.85 134.21 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.508 ' CD2' ' HB3' ' A' ' 117' ' ' MET . 91.0 m-85 -124.75 -176.83 3.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.712 HG21 ' HE1' ' A' ' 70' ' ' MET . 61.2 t -124.24 94.48 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 119' ' ' SER . 13.3 m -97.66 23.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.19 144.51 5.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.424 HG12 ' CD2' ' A' ' 40' ' ' LEU . 97.2 mt -132.46 103.43 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.113 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 16.2 t30 -39.19 119.0 1.19 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -9.13 25.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -105.21 -8.24 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.23 179.81 46.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.514 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.474 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.5 Cg_endo -69.78 -44.97 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.465 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -49.89 -24.61 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -87.44 -29.82 21.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.2 43.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -31.18 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.02 32.92 85.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -107.81 -54.51 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.925 ' HG3' HD11 ' A' ' 29' ' ' ILE . 8.6 mtp -68.17 138.59 55.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -130.97 169.84 15.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.516 HG23 ' HA ' ' A' ' 56' ' ' VAL . 4.6 mm -74.37 118.36 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.58 -11.27 6.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -65.03 147.44 53.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.73 102.33 9.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.7 mt -56.75 124.54 18.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.679 HD22 ' CE1' ' A' ' 19' ' ' TYR . 34.5 mt -108.34 -38.28 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -151.36 152.69 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.872 HG12 HD23 ' A' ' 105' ' ' LEU . 45.0 mt -150.5 136.75 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' ILE . 10.3 t-20 37.28 47.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.18 53.31 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -155.88 106.92 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.564 HG22 ' H ' ' A' ' 85' ' ' TYR . 55.5 mt -59.17 144.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.584 HD11 HD12 ' A' ' 79' ' ' ILE . 18.9 mt -128.46 9.07 6.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 53.7 t80 -77.82 9.35 3.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.43 21.86 1.07 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -131.93 165.14 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 t -81.71 148.14 29.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -53.33 -21.92 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -67.76 -30.0 69.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -78.63 -35.67 45.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.97 -58.17 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -51.03 -43.18 60.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.35 -49.74 73.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.6 mt -53.89 -42.6 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.94 -47.87 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -53.55 -44.47 69.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 46.0 p -78.26 -14.73 59.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.13 150.7 74.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 172.2 13.06 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.3 m -40.22 -67.44 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -73.8 111.43 8.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.7 t -118.87 132.02 69.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.425 ' HE3' HG21 ' A' ' 28' ' ' ILE . 22.6 tttt -90.77 121.04 32.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.872 HD23 HG12 ' A' ' 79' ' ' ILE . 5.9 mt -113.18 127.33 56.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.499 HG22 HG12 ' A' ' 28' ' ' ILE . 89.9 t -116.06 101.28 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 37.7 p90 -126.51 174.53 8.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.624 HD11 ' C ' ' A' ' 24' ' ' GLY . 4.6 tt -124.86 124.14 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -82.49 133.04 35.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -155.66 121.81 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 114' ' ' VAL . 55.7 tt0 -63.52 -11.3 23.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.19 -21.06 18.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.67 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 111' ' ' GLU . 19.5 m -53.23 -21.73 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.455 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 70.0 m-80 -101.16 -31.92 10.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -59.72 -46.44 89.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.528 ' HE3' HG12 ' A' ' 56' ' ' VAL . 4.6 ptt? -66.49 148.35 52.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.04 -39.36 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.625 ' HA ' HG11 ' A' ' 56' ' ' VAL . 10.7 t 63.1 41.54 8.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -165.98 83.78 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 153.21 68.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.331 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.4 t -48.96 157.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.1 m -95.3 137.4 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.436 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -153.59 129.92 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.886 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -141.52 171.17 14.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.35 126.39 0.89 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -162.94 144.8 10.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.339 . . . . 0.0 110.884 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m 55.1 43.8 28.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.06 -27.88 2.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 11' ' ' THR . 2.9 m-20 -89.53 20.03 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.757 0.313 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.96 0.3 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -107.38 17.29 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 8' ' ' ASP . 80.3 p -82.76 146.22 29.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.44 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -43.44 -47.86 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -55.63 -38.29 69.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.46 -38.11 55.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.718 HG21 HG11 ' A' ' 106' ' ' VAL . 62.4 mt -61.78 -53.24 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.704 ' HA ' HD22 ' A' ' 26' ' ' LEU . 36.0 ptt180 -60.42 -46.58 89.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 13.8 mt-30 -66.8 -32.52 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HD3' ' CE2' ' A' ' 19' ' ' TYR . 8.7 ttt85 -66.61 -49.02 67.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.483 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 84.7 m-85 -100.06 13.67 33.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -64.24 -14.37 55.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.24 -26.77 42.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.82 151.7 14.93 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.571 0.7 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -49.68 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -64.32 -176.56 4.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.455 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -107.89 124.4 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.9 tp -62.23 131.81 50.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -134.28 107.35 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.73 HG12 HG22 ' A' ' 106' ' ' VAL . 36.1 mt -100.29 109.29 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.665 HD12 HD21 ' A' ' 31' ' ' LEU . 30.7 pt -120.52 142.48 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -95.66 114.57 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.665 HD21 HD12 ' A' ' 29' ' ' ILE . 76.0 mt -109.41 135.79 49.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -94.96 124.68 39.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HD3' HG22 ' A' ' 96' ' ' ILE . 20.9 mtmt -57.17 111.11 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LYS . 71.0 m-20 -74.32 -178.91 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' ASP . 39.4 tttt -36.94 -38.27 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -104.39 -21.6 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.96 -154.65 16.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.452 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 105' ' ' LEU . 17.7 mt -82.35 105.41 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.12 101.2 2.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.634 HD21 ' HB1' ' A' ' 64' ' ' ALA . 10.1 mt -143.23 136.74 28.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.9 m -94.57 113.59 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -95.39 158.33 15.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.468 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . . . -160.37 122.05 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -53.3 147.23 17.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 37.9 t-20 -50.02 147.43 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.516 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 33.9 mttm -35.88 -45.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -96.96 117.17 30.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -51.07 -51.09 56.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.2 t -43.92 -24.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -91.81 97.87 11.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.3 tpt -75.19 96.24 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -154.16 149.23 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.5 mt -102.07 145.35 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 59.4 m-85 -145.24 155.74 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.464 HG21 ' CE ' ' A' ' 70' ' ' MET . 93.2 t -101.23 106.04 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 43' ' ' ALA . 6.5 m -101.23 9.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.71 146.41 7.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.555 HG12 HD23 ' A' ' 40' ' ' LEU . 98.3 mt -135.71 109.52 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 29.8 t30 -48.0 119.98 7.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -9.34 25.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -106.23 -7.91 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.86 176.54 45.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.429 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -37.29 9.48 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.399 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.634 ' HB1' HD21 ' A' ' 40' ' ' LEU . . . -56.4 -28.71 60.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -87.4 -37.85 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.68 -59.42 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -48.95 -37.92 21.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.53 45.19 60.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' HB2' HD13 ' A' ' 29' ' ' ILE . 3.9 mmp_? -124.94 -35.95 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 0.0 110.89 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.663 ' HG3' HD11 ' A' ' 29' ' ' ILE . 9.3 mtp -86.42 121.99 29.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.498 ' N ' ' CD ' ' A' ' 71' ' ' ARG . 1.3 mpt_? -108.69 -174.96 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.6 mm -87.52 122.85 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.17 -25.26 6.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -49.01 145.19 4.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.771 0.319 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 33.3 tt0 -114.93 100.78 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.607 HD13 HD11 ' A' ' 79' ' ' ILE . 90.0 mt -53.41 128.66 29.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.441 HD22 ' CE1' ' A' ' 19' ' ' TYR . 13.8 mt -109.94 -41.17 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -140.63 153.55 46.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.607 HD11 HD13 ' A' ' 76' ' ' LEU . 12.0 mt -152.72 116.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.408 ' HB2' HG13 ' A' ' 103' ' ' VAL . 21.3 t-20 56.39 50.26 13.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 59.95 50.38 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -154.54 111.25 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.5 mt -71.56 123.77 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.526 HD11 HG13 ' A' ' 79' ' ' ILE . 11.7 mt -93.16 -22.15 19.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -42.92 92.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 115.6 26.51 3.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.468 ' NH1' HD11 ' A' ' 95' ' ' ILE . 63.2 mtp180 -134.97 176.0 9.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 99.0 p -88.52 137.83 31.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -48.86 -37.13 18.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -55.94 -36.57 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -65.91 -51.59 57.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.24 -55.15 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.1 m -54.19 -37.45 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.6 83.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.468 HD11 ' NH1' ' A' ' 87' ' ' ARG . 98.5 mt -56.46 -38.69 57.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.58 HD13 HD12 ' A' ' 38' ' ' LEU . 96.4 mt -65.95 -46.79 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -52.73 -44.84 66.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.5 p -73.12 -26.44 61.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.61 154.04 93.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.593 0.711 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.7 Cg_endo -69.76 170.49 16.45 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 100' ' ' PRO . 24.0 m -38.34 -64.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.46 117.36 19.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 80' ' ' ASN . 18.5 t -124.83 136.96 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.421 ' HE3' HG21 ' A' ' 28' ' ' ILE . 48.4 tttt -93.6 119.12 32.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.588 HD11 HD13 ' A' ' 38' ' ' LEU . 7.0 mt -110.0 124.23 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.73 HG22 HG12 ' A' ' 28' ' ' ILE . 95.4 t -111.65 101.27 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.591 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 21.9 p90 -125.78 176.12 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.43 HD11 ' C ' ' A' ' 24' ' ' GLY . 6.1 tt -114.46 152.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.4 ttt-85 -109.34 102.42 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -135.41 109.81 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 114' ' ' VAL . 1.1 pm0 -60.46 -15.76 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 88.0 m-20 -83.75 -30.66 26.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -48.9 -36.43 17.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.077 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 111' ' ' GLU . 25.4 m -41.83 -29.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 116' ' ' GLN . 5.0 p30 -88.22 -38.46 15.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.499 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 28.4 mt-30 -65.81 -35.66 81.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.466 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -76.51 140.53 41.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -79.19 -177.07 5.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.2 p -134.98 95.5 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 158.3 91.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.7 3.3 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.5 m -127.28 142.45 51.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.0 m -144.04 152.33 40.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -99.69 106.93 18.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -41.11 -46.22 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.97 -150.15 0.49 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -134.07 170.29 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -46.21 152.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.44 -24.92 0.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -84.34 37.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.61 3.64 55.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -118.23 10.34 12.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LYS . 80.6 p -76.84 143.02 40.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.89 -42.66 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -58.04 -38.73 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 11' ' ' THR . 56.4 mmtt -81.23 -32.71 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.676 HG21 HG11 ' A' ' 106' ' ' VAL . 76.3 mt -66.66 -45.8 87.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.752 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 32.5 ptt180 -65.83 -41.46 91.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -72.95 -33.91 66.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -69.07 -40.83 78.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CG ' HD13 ' A' ' 77' ' ' LEU . 73.8 m-85 -104.9 14.12 30.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -67.71 -18.03 64.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -73.05 -29.7 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 24.2 mt -54.69 151.67 14.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.65 0.738 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.6 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.331 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.15 -179.75 6.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -105.76 124.55 49.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.667 HD22 ' HA ' ' A' ' 16' ' ' ARG . 10.9 tp -59.08 133.29 55.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -132.66 102.63 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.559 HG21 ' HE2' ' A' ' 104' ' ' LYS . 39.4 mt -97.96 110.91 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.938 HD11 ' HG3' ' A' ' 70' ' ' MET . 20.7 pt -129.76 138.02 55.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -94.55 115.03 27.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.539 HD12 ' CD1' ' A' ' 105' ' ' LEU . 48.1 mt -111.87 126.62 55.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -81.66 120.36 24.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -46.15 110.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' ASN . 24.0 t70 -67.58 175.18 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' ASP . 77.3 tttt -37.71 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' ASP . 21.0 m-20 -110.94 -24.78 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 110.31 -171.46 14.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 63' ' ' PRO . 11.9 mt -69.35 91.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.31 111.29 3.45 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -146.68 136.44 23.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.0 m -83.44 107.13 15.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.405 HD22 ' CG2' ' A' ' 53' ' ' ILE . 22.4 mt -97.61 135.65 39.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.976 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.32 117.37 11.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.01 135.12 22.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 32.1 t-20 -37.03 150.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 32.2 mttm -40.81 -48.98 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -88.21 127.63 35.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -67.85 -21.97 65.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -71.37 -20.44 62.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -105.83 94.7 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.9 tpt -70.6 105.18 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -150.25 151.27 32.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.405 ' CG2' HD22 ' A' ' 42' ' ' LEU . 60.7 mt -110.74 128.06 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 69.7 m-85 -129.1 159.49 35.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 72' ' ' ILE . 88.7 t -101.92 96.15 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 m -93.17 11.2 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.93 151.72 11.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.416 HG13 ' CD1' ' A' ' 72' ' ' ILE . 85.2 mt -134.79 94.65 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -47.12 124.98 8.73 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.3 Cg_endo -69.84 -5.27 15.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.73 -28.31 16.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.7 -178.85 50.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.451 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.553 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.2 Cg_endo -69.85 -49.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -37.88 -40.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -68.95 -41.05 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -65.14 -38.47 90.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.443 ' OD2' HD12 ' A' ' 29' ' ' ILE . 9.7 t0 -64.75 -44.75 89.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.76 -13.82 22.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -72.5 -49.51 32.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.938 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.1 mtp -65.38 134.85 54.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -130.84 173.85 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.416 ' CD1' HG13 ' A' ' 58' ' ' ILE . 6.1 mm -75.78 119.81 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.459 ' O ' ' HB1' ' A' ' 113' ' ' ALA . . . 129.16 -19.96 5.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.528 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.504 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.7 m-20 -58.4 152.28 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 29.8 tt0 -125.57 105.7 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.726 HD13 HD11 ' A' ' 79' ' ' ILE . 95.4 mt -57.61 129.49 42.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' A' ' 19' ' ' TYR . 16.1 mt -110.41 -39.71 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -146.46 150.25 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.826 HD12 HD11 ' A' ' 84' ' ' LEU . 55.0 mt -147.41 139.38 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 79' ' ' ILE . 13.1 t30 34.3 49.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 61.04 53.8 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -159.5 110.69 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.3 mt -67.52 131.18 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.826 HD11 HD12 ' A' ' 79' ' ' ILE . 14.2 mt -97.85 -21.32 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -50.89 101.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 124.22 -29.91 4.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -90.68 167.62 12.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.327 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.5 t -86.71 147.64 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -46.18 -36.41 5.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -52.53 -40.19 62.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.528 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 50.7 m-20 -67.54 -49.6 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -42.52 -62.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -47.01 -35.26 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -64.07 -44.75 91.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.59 -43.81 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.56 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -53.8 -43.82 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 49.4 p -76.41 -26.59 55.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.37 149.26 98.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.567 0.699 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.6 Cg_endo -69.79 171.96 13.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' PRO . 63.4 m -38.14 -65.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -76.06 122.4 24.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.4 t -132.28 143.87 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.559 ' HE2' HG21 ' A' ' 28' ' ' ILE . 45.8 tttm -94.92 126.22 40.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.543 HD23 HG12 ' A' ' 79' ' ' ILE . 8.8 mt -115.15 123.87 50.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.676 HG11 HG21 ' A' ' 15' ' ' ILE . 90.8 t -116.25 99.82 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.517 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 10.8 p90 -124.48 174.62 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 22' ' ' LEU . 5.8 tt -116.46 150.84 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 ttt-85 -110.25 103.09 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -130.15 135.66 48.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.7 pt-20 -72.93 -15.83 61.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.83 -26.12 24.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . -49.59 -49.25 47.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.5 m -49.41 -27.44 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -88.6 -36.87 16.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -68.25 -57.61 5.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.519 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 21.7 ptt? -51.22 138.94 19.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.56 -41.19 29.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.5 p 58.08 45.01 18.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -178.67 84.09 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 0.24 5.91 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.689 2.26 . . . . 0.0 112.38 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 81.1 p -102.36 129.68 48.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.9 t -109.67 104.87 13.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.8 p -129.95 159.03 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.921 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -112.46 168.37 9.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.53 107.79 1.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -88.02 84.52 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.952 0.406 . . . . 0.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -93.13 96.66 10.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.71 84.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.527 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -101.98 27.84 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.04 6.37 8.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -110.6 12.91 22.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.4 p -79.16 143.44 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.73 -55.66 2.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -52.56 -39.7 61.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -73.92 -31.78 63.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.546 ' CG2' HG11 ' A' ' 106' ' ' VAL . 85.3 mt -71.46 -51.85 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.776 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 7.5 ptm180 -63.98 -29.82 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -83.4 -29.94 27.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.1 ttm-85 -68.7 -46.16 69.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.565 ' CG ' HD13 ' A' ' 77' ' ' LEU . 80.4 m-85 -99.41 12.53 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -65.55 -7.76 16.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.39 -19.36 25.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.84 148.8 86.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -49.75 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.582 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -59.21 -177.7 1.07 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -103.98 121.84 43.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.595 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.2 tp -70.7 124.49 24.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -127.71 106.99 9.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.534 HG12 HG22 ' A' ' 106' ' ' VAL . 67.3 mt -97.88 109.92 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.887 HD11 ' HG3' ' A' ' 70' ' ' MET . 16.6 pt -121.27 150.7 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -107.34 116.51 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.794 HD21 HD12 ' A' ' 29' ' ' ILE . 40.5 mt -115.2 127.01 55.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' LYS . 8.2 tt0 -85.65 111.64 20.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' GLU . 15.1 mtmt -37.14 130.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' LYS . 10.9 t70 -91.88 -179.97 5.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' ASP . 14.4 tmtt? -34.39 -44.76 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -97.78 -35.3 10.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.58 -167.28 18.0 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.523 HD23 ' HG3' ' A' ' 63' ' ' PRO . 28.4 mt -70.86 70.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.77 95.06 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 64' ' ' ALA . 11.4 mt -134.95 140.59 45.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.6 m -92.34 114.48 27.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 mt -102.98 149.53 24.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -151.17 115.76 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -50.4 149.0 6.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' LYS . 31.1 t-20 -47.18 135.09 10.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.811 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 27.8 mttp -34.66 -38.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.58 105.23 17.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -48.77 -38.53 22.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 t -50.31 -32.01 15.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -87.55 152.99 21.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.1 tpt -118.85 95.55 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -154.98 147.13 23.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.463 HD13 ' HB2' ' A' ' 92' ' ' ALA . 19.4 mt -112.98 140.7 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 80.2 m-85 -132.7 -178.41 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.0 t -121.6 93.35 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.463 HG21 ' HD3' ' A' ' 121' ' ' PRO . 5.5 m -87.44 13.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.68 151.08 8.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 72' ' ' ILE . 91.5 mt -134.35 98.84 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 4.0 t-20 -39.27 122.72 1.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -10.21 28.04 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -103.59 -8.22 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.39 179.11 46.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.523 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.6 Cg_endo -69.7 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.503 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -44.59 -43.33 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -65.32 -41.51 93.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.67 -34.39 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 6.9 t0 -68.51 -45.76 71.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.66 -20.87 12.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.883 ' HB2' HD13 ' A' ' 29' ' ' ILE . 17.7 mmm180 -60.54 -43.06 97.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.887 ' HG3' HD11 ' A' ' 29' ' ' ILE . 8.9 mtp -79.3 139.99 37.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -135.29 173.47 11.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.508 ' N ' HD13 ' A' ' 72' ' ' ILE . 3.7 mm -76.33 115.99 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 124.15 -7.55 8.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.544 ' OD2' ' CE1' ' A' ' 107' ' ' PHE . 86.7 m-20 -73.84 129.99 39.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.776 0.322 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 14.7 tt0 -97.45 110.35 22.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.44 HD13 HD11 ' A' ' 79' ' ' ILE . 50.7 mt -64.14 122.21 16.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.565 HD13 ' CG ' ' A' ' 19' ' ' TYR . 14.5 mt -100.83 -46.44 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -137.73 152.04 48.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.605 HG12 HD23 ' A' ' 105' ' ' LEU . 52.4 mt -154.24 109.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 24.0 t30 62.85 48.38 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 61.65 43.52 9.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -144.47 120.14 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.493 ' O ' HD23 ' A' ' 84' ' ' LEU . 61.9 mt -70.81 144.13 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 83' ' ' ILE . 12.1 mt -130.87 3.97 4.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.595 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 44.2 t80 -76.76 7.82 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.62 18.6 1.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -128.08 174.54 9.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.5 t -89.08 157.84 18.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -62.91 -23.95 67.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -66.0 -23.85 66.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -84.71 -41.59 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -46.99 -54.41 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t -56.42 -39.72 73.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.08 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.73 -46.04 95.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.453 HD13 HD12 ' A' ' 38' ' ' LEU . 97.6 mt -60.33 -47.15 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -52.74 -46.73 67.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.9 p -73.07 -21.7 60.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.27 152.41 92.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 172.11 13.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.6 m -42.33 -63.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -77.77 112.27 14.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.1 t -116.64 150.27 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -107.96 111.66 23.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.605 HD23 HG12 ' A' ' 79' ' ' ILE . 6.7 mt -102.51 129.84 49.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.546 HG11 ' CG2' ' A' ' 15' ' ' ILE . 97.8 t -120.24 100.54 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 36.4 p90 -122.87 177.78 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.582 HD11 ' C ' ' A' ' 24' ' ' GLY . 7.8 tt -129.51 125.45 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -85.7 123.06 30.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -151.47 133.4 15.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.35 -10.86 59.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -95.32 -16.52 22.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.73 -35.35 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.5 m -59.92 -24.35 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -87.05 -35.87 18.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -73.26 -42.88 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.527 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -59.12 128.42 37.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.811 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -80.28 100.3 8.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.5 t -60.13 118.34 6.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 130.7 86.72 0.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PRO . . . . . 0.463 ' HD3' HG21 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.78 87.26 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.368 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 121' ' ' PRO . 37.1 p -35.52 117.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.6 m -89.74 129.44 36.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.512 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 p -88.58 103.69 16.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.9 m -40.73 155.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.94 -108.47 0.58 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -71.93 -47.89 49.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -68.77 171.57 7.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.04 87.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.75 43.67 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.87 -11.58 33.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -101.82 11.25 38.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 14.6 p -67.92 133.26 48.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.545 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -36.15 -57.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -49.24 -39.96 32.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' THR . 10.4 mmtm -75.64 -32.38 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.631 HG21 HG11 ' A' ' 106' ' ' VAL . 79.7 mt -65.05 -48.28 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.859 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.5 ptp180 -63.38 -48.6 77.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.6 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 -67.74 -45.0 76.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -100.64 17.63 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.97 -19.96 65.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.31 -29.69 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 108' ' ' ILE . 28.6 mt -53.6 150.14 13.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.43 ' HG2' ' ND2' ' A' ' 110' ' ' ASN . 54.1 Cg_endo -69.74 -49.3 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 0.0 112.367 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -64.93 -173.31 3.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -109.35 127.56 54.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.859 HD22 ' HA ' ' A' ' 16' ' ' ARG . 4.7 tp -68.32 133.08 48.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -134.32 108.05 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.467 HG21 ' HE3' ' A' ' 104' ' ' LYS . 72.1 mt -100.52 109.96 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.852 HD11 ' HG3' ' A' ' 70' ' ' MET . 21.6 pt -122.34 146.38 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -100.93 114.08 27.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.842 HD21 HD12 ' A' ' 29' ' ' ILE . 49.8 mt -115.41 133.95 55.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -95.74 116.76 29.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -40.88 127.99 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.9 t70 -87.01 177.17 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -34.63 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' ASP . 10.3 m-80 -108.81 -23.66 11.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 107.92 -177.25 21.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.543 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 105' ' ' LEU . 21.8 mt -59.71 109.93 1.03 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -100.26 105.48 2.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.416 HD21 ' CB ' ' A' ' 64' ' ' ALA . 7.0 mt -143.57 133.61 24.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.5 m -83.98 105.86 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.5 mt -92.32 152.57 19.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.53 123.44 5.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.91 153.41 6.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 27.9 t-20 -53.84 153.88 4.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.933 0.397 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 4.7 mtpm? -37.43 -34.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -105.91 147.65 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -5.54 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -85.86 -25.95 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -95.63 94.08 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.817 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.93 97.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -148.33 151.89 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.6 mt -115.83 134.95 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.482 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 66.6 m-85 -130.12 173.53 10.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.5 t -118.57 94.81 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.743 HG12 ' SD ' ' A' ' 117' ' ' MET . 17.5 m -93.86 20.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.45 150.73 8.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.4 mt -133.23 102.86 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 111.137 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.571 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 16.2 t-20 -41.68 118.61 1.91 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.736 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -11.19 30.33 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.395 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -104.37 -8.69 19.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.26 -179.43 46.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.8 Cg_endo -69.77 -49.25 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -43.99 -43.04 6.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -64.09 -42.47 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.92 89.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.405 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 8.9 t70 -65.32 -49.36 69.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.51 -23.86 11.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.76 ' HB2' HD13 ' A' ' 29' ' ' ILE . 16.5 mmm180 -57.08 -45.68 83.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.852 ' HG3' HD11 ' A' ' 29' ' ' ILE . 9.5 mtp -71.87 146.0 48.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.414 ' HE ' ' CZ ' ' A' ' 109' ' ' ARG . 20.0 mtm180 -143.49 166.24 25.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 72' ' ' ILE . 5.5 mm -68.94 118.29 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.09 -21.39 5.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.591 ' CG ' ' CE1' ' A' ' 107' ' ' PHE . 85.2 m-20 -54.73 153.93 5.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -125.96 98.1 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.801 HD13 HD11 ' A' ' 79' ' ' ILE . 89.3 mt -51.35 123.63 10.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 mt -105.06 -43.81 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -143.97 152.33 40.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.801 HD11 HD13 ' A' ' 76' ' ' LEU . 81.5 mt -150.58 124.6 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 51.93 47.07 25.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.3 m120 60.95 53.66 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -156.29 107.66 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.2 mt -68.49 133.05 32.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 79' ' ' ILE . 11.9 mt -104.03 -21.05 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -44.89 94.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 118.46 11.46 7.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.488 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -124.82 173.6 8.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.819 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 76.8 p -86.94 153.5 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -59.09 -39.48 82.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -53.63 -34.04 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.499 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 84.4 m-20 -69.28 -42.78 75.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.03 -63.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.1 p -44.91 -40.0 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -56.69 -50.52 71.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.072 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.485 HD12 ' CD2' ' A' ' 84' ' ' LEU . 75.1 mt -56.19 -39.86 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 88.3 mt -65.22 -46.2 91.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -52.05 -46.39 65.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -73.71 -28.33 61.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.82 151.35 96.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.54 0.686 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.7 Cg_endo -69.8 171.31 14.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.649 2.233 . . . . 0.0 112.359 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 100' ' ' PRO . 39.6 m -36.68 -64.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -77.0 119.02 20.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 32.2 t -127.46 129.23 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HE3' HG21 ' A' ' 28' ' ' ILE . 21.5 tttp -80.62 124.94 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 38' ' ' LEU . 9.9 mt -116.45 115.11 25.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.631 HG11 HG21 ' A' ' 15' ' ' ILE . 76.3 t -108.96 103.15 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.591 ' CE1' ' CG ' ' A' ' 74' ' ' ASP . 42.8 p90 -125.67 179.93 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.491 HD11 ' C ' ' A' ' 24' ' ' GLY . 7.8 tt -127.96 120.85 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.414 ' CZ ' ' HE ' ' A' ' 71' ' ' ARG . 7.6 tpp85 -80.69 94.65 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.433 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 61.4 t-20 -115.27 122.53 46.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.7 tp10 -64.51 -15.32 60.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -94.06 -12.08 29.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.433 ' HB2' ' HB3' ' A' ' 110' ' ' ASN . . . -72.5 -27.64 62.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 111' ' ' GLU . 19.7 m -53.26 -34.37 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -90.7 -45.55 8.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -46.8 -29.14 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.743 ' SD ' HG12 ' A' ' 56' ' ' VAL . 17.9 ptt? -87.42 122.6 31.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 117' ' ' MET . . . -34.04 -36.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.723 ' HA ' HG11 ' A' ' 56' ' ' VAL . 8.0 t 64.97 32.63 10.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -156.01 87.81 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -29.2 24.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.381 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.7 t -70.2 169.22 14.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -113.16 -47.6 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -69.56 85.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -142.86 149.59 38.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.0 134.08 3.01 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 m -92.01 114.15 26.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.375 . . . . 0.0 110.818 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -121.43 153.73 37.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.21 66.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.84 38.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.66 -8.29 47.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -105.14 16.6 25.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' ASP . 20.6 p -79.53 137.56 37.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.464 ' OD1' HD12 ' A' ' 28' ' ' ILE . 10.0 t70 -36.41 -61.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' ASP . 7.6 pt20 -37.67 -45.4 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -75.98 -34.91 59.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.644 HG21 HG11 ' A' ' 106' ' ' VAL . 86.5 mt -62.74 -50.46 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.744 ' HA ' HD22 ' A' ' 26' ' ' LEU . 2.4 ptm85 -61.45 -39.17 89.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -74.09 -32.41 63.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -69.48 -42.94 74.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.626 ' CE1' HD22 ' A' ' 77' ' ' LEU . 76.7 m-85 -103.21 16.91 25.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -69.0 -25.58 64.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.09 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.64 -30.69 71.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 mt -53.79 151.17 12.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.543 0.687 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -49.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.702 2.268 . . . . 0.0 112.38 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -166.05 0.32 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -120.12 125.23 47.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 16' ' ' ARG . 5.4 tp -63.59 130.15 43.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -132.51 109.99 10.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.464 HD12 ' OD1' ' A' ' 12' ' ' ASP . 36.2 mt -99.57 115.79 41.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.936 HD11 ' HG3' ' A' ' 70' ' ' MET . 42.7 pt -128.53 139.27 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -97.79 120.1 37.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.53 HD21 HD12 ' A' ' 29' ' ' ILE . 22.7 mt -121.28 124.2 44.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -81.2 114.27 19.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HD3' HG22 ' A' ' 96' ' ' ILE . 13.8 mtmt -39.15 123.1 1.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 35' ' ' LYS . 13.6 t70 -80.43 175.1 10.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -34.19 -39.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -100.8 -33.4 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.63 -178.13 16.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 63' ' ' PRO . 22.6 mt -61.05 94.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.82 103.99 2.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 58' ' ' ILE . 39.8 mt -140.77 133.67 29.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -86.92 110.81 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.19 150.07 21.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -152.02 113.43 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.743 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -41.76 163.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' LYS . 21.2 t-20 -64.49 146.57 54.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.849 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.715 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 4.9 mtpm? -37.79 -45.87 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.85 106.59 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' SER . 9.1 ptt85 -42.26 -51.32 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' ARG . 5.8 m -37.55 -37.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -82.34 148.36 28.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.6 tpt -121.39 104.57 9.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.66 144.3 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 92' ' ' ALA . 20.4 mt -100.21 130.19 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.539 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 60.9 m-85 -125.95 167.39 15.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.706 HG21 ' HE2' ' A' ' 70' ' ' MET . 66.7 t -115.57 89.13 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.586 HG12 ' SD ' ' A' ' 117' ' ' MET . 6.3 m -91.41 22.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.42 151.34 8.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 40' ' ' LEU . 98.6 mt -134.79 97.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 111.114 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' CG ' ' HG2' ' A' ' 61' ' ' GLU . 9.1 t-20 -42.84 118.89 2.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.666 0.746 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.4 Cg_endo -69.8 0.08 6.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG2' ' CG ' ' A' ' 59' ' ' ASN . 10.4 pt-20 -102.51 -25.37 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.81 -175.77 49.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.626 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.4 Cg_endo -69.81 -49.03 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.29 -36.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.487 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -82.26 -34.71 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -67.93 -53.11 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -60.12 -36.1 76.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.83 48.74 59.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.527 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -122.29 -43.93 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.936 ' HG3' HD11 ' A' ' 29' ' ' ILE . 6.0 mtp -72.45 153.53 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -138.38 174.31 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.511 HG22 ' CE ' ' A' ' 117' ' ' MET . 7.8 mm -81.42 119.76 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.53 -18.96 6.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.4 m-20 -60.85 136.53 58.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -108.83 100.04 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.476 HD13 HD11 ' A' ' 79' ' ' ILE . 80.2 mt -50.2 136.11 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.626 HD22 ' CE1' ' A' ' 19' ' ' TYR . 17.2 mt -118.85 -39.2 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' C ' HG13 ' A' ' 79' ' ' ILE . 47.3 mt-10 -148.09 151.62 35.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.557 HD12 HD11 ' A' ' 84' ' ' LEU . 90.2 mt -152.0 131.32 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 31.3 t30 48.67 43.26 20.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.0 m120 62.64 54.44 2.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -154.9 119.6 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.6 mt -74.47 127.38 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.557 HD11 HD12 ' A' ' 79' ' ' ILE . 7.9 mt -101.66 -20.42 15.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -47.69 96.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.35 30.92 2.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -145.36 166.11 26.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.0 p -77.8 146.15 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -49.17 -46.06 44.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -45.86 -41.77 11.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -59.72 -48.96 79.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.549 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -48.08 -62.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -49.4 -41.0 38.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.25 73.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 84' ' ' LEU . 81.1 mt -54.26 -39.56 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.507 HD13 HD12 ' A' ' 38' ' ' LEU . 83.4 mt -65.17 -47.29 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -51.25 -42.55 61.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.3 p -75.28 -25.1 57.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.43 154.36 94.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.067 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 174.94 8.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -44.06 -57.0 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.807 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -81.03 116.12 20.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.9 t -126.24 142.08 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -99.59 117.52 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.459 ' CD1' HD12 ' A' ' 31' ' ' LEU . 5.8 mt -106.78 120.02 40.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.644 HG11 HG21 ' A' ' 15' ' ' ILE . 93.2 t -110.15 102.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.484 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 31.9 p90 -128.4 171.97 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.2 tt -112.32 155.79 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -112.07 94.19 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 112' ' ' ASP . 31.1 t-20 -124.28 114.99 20.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.967 ' O ' HG22 ' A' ' 114' ' ' VAL . 13.2 tt0 -51.13 -42.65 60.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 1.1 m-20 -60.88 -28.91 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 110' ' ' ASN . . . -54.69 -42.59 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.967 HG22 ' O ' ' A' ' 111' ' ' GLU . 28.5 m -44.13 -33.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -91.6 -51.86 5.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -45.16 -38.18 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.586 ' SD ' HG12 ' A' ' 56' ' ' VAL . 22.4 ptt? -68.82 124.46 23.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 44' ' ' GLY . . . -67.32 97.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.7 t -63.27 133.14 53.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 128.83 90.09 0.62 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -0.58 7.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m -62.89 -70.3 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 124' ' ' GLY . 29.1 p -94.63 -61.87 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.41 ' N ' ' OG ' ' A' ' 123' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p 40.37 42.72 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.917 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -108.03 128.38 54.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.73 90.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.4 p -76.91 100.62 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -60.13 119.74 8.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.23 -24.8 1.75 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.43 39.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.3 -1.94 58.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -110.57 18.27 19.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' ASP . 43.4 p -88.15 141.13 28.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -34.82 -65.42 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 14' ' ' LYS . 9.3 pt20 -38.63 -42.54 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 5.0 mmpt? -76.26 -39.64 53.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.585 HG21 HG11 ' A' ' 106' ' ' VAL . 89.5 mt -58.58 -49.29 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.71 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 18.9 ptt180 -63.74 -39.87 95.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -73.23 -27.43 61.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -74.58 -39.69 62.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.459 ' CG ' HD13 ' A' ' 77' ' ' LEU . 81.5 m-85 -107.48 14.33 25.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -65.1 -19.09 65.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -72.89 -27.59 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.415 ' HB3' HD13 ' A' ' 108' ' ' ILE . 24.5 mt -54.99 152.05 14.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.69 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.464 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.76 -175.44 6.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.65 126.11 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.554 HD21 HG22 ' A' ' 15' ' ' ILE . 6.9 tp -59.0 134.16 56.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -131.8 96.4 3.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.534 HG12 HG22 ' A' ' 106' ' ' VAL . 31.8 mt -91.43 105.74 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.885 HD11 ' HG3' ' A' ' 70' ' ' MET . 33.0 pt -123.9 136.99 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -95.71 124.27 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.68 HD12 ' CD1' ' A' ' 105' ' ' LEU . 14.8 mt -122.36 125.83 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -82.34 112.35 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.474 ' HD3' HG22 ' A' ' 96' ' ' ILE . 5.5 mtmp? -39.92 131.55 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.3 t0 -92.0 -178.36 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ASP . 22.0 ttmt -35.56 -32.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ASP . 91.1 m-20 -114.3 -21.98 10.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.74 -166.68 12.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.549 HD13 HD11 ' A' ' 105' ' ' LEU . 10.3 mt -70.8 98.84 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.67 99.26 2.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mt -135.69 136.93 41.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.9 m -83.6 100.88 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.19 143.93 25.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.66 123.44 10.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.19 155.62 7.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -53.02 138.94 29.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.625 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 13.7 mtpp -46.79 -35.08 5.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -94.73 112.29 24.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' ARG . 25.7 ttt180 -48.49 -61.67 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ARG . 74.6 m -36.65 -33.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' ARG . 8.1 mtt85 -94.81 140.12 30.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.3 mmt -115.25 130.63 56.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 m -175.64 151.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.486 HD13 ' HB2' ' A' ' 92' ' ' ALA . 14.5 mt -115.63 123.36 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CZ ' ' OE2' ' A' ' 75' ' ' GLU . 85.5 m-85 -119.01 178.72 4.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.691 HG21 ' HE2' ' A' ' 70' ' ' MET . 90.1 t -119.78 95.84 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.839 HG12 ' SD ' ' A' ' 117' ' ' MET . 16.8 m -93.7 20.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.92 150.8 7.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.9 mt -134.97 97.77 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 111.125 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -43.92 122.06 3.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.76 -13.97 35.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -91.74 -22.72 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.25 -178.72 49.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.5 Cg_endo -69.76 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -38.25 -44.39 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -69.04 -36.49 77.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.88 -51.88 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.31 -32.96 70.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.86 46.71 93.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -122.27 -50.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.885 ' HG3' HD11 ' A' ' 29' ' ' ILE . 5.7 mtp -64.78 146.23 55.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 70' ' ' MET . 11.6 mmt-85 -130.5 177.15 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.8 mm -82.31 119.84 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.26 -20.04 7.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.549 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 71.7 m-20 -51.6 144.73 10.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.571 ' OE2' ' CZ ' ' A' ' 54' ' ' PHE . 42.7 tt0 -117.03 105.25 12.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.765 HD13 HD11 ' A' ' 79' ' ' ILE . 68.6 mt -58.29 128.43 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.459 HD13 ' CG ' ' A' ' 19' ' ' TYR . 26.5 mt -111.37 -45.17 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -140.48 153.23 46.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.765 HD11 HD13 ' A' ' 76' ' ' LEU . 72.4 mt -154.0 131.92 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 48.95 33.91 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 71.88 53.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -154.7 124.86 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.7 mt -78.15 127.39 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.499 HD11 HD12 ' A' ' 79' ' ' ILE . 11.0 mt -99.43 -29.91 12.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' LEU . 58.8 t80 -37.28 109.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.11 26.01 7.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -141.29 168.96 18.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.8 p -88.62 153.04 21.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -54.44 -39.24 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -50.31 -26.88 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -77.46 -41.06 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -54.84 -66.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.4 p -40.38 -42.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.49 -50.97 71.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.4 mt -55.15 -47.31 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.474 HG22 ' HD3' ' A' ' 33' ' ' LYS . 85.9 mt -60.49 -44.25 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -52.46 -43.65 65.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.1 p -77.05 -24.79 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' A' ' 103' ' ' VAL . . . -69.6 149.44 96.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.6 Cg_endo -69.78 170.92 15.46 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.318 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' PRO . 67.1 m -38.23 -55.47 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -82.21 117.1 22.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.493 HG22 ' HB1' ' A' ' 99' ' ' ALA . 89.6 t -127.89 140.45 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -95.42 125.05 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.68 ' CD1' HD12 ' A' ' 31' ' ' LEU . 4.9 mt -114.61 117.73 31.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.585 HG11 HG21 ' A' ' 15' ' ' ILE . 95.3 t -111.01 99.61 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 23.0 p90 -125.04 -176.56 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.496 HG22 ' HB3' ' A' ' 75' ' ' GLU . 5.9 tt -122.74 145.92 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -100.78 91.89 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -125.93 127.15 45.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.928 ' O ' HG22 ' A' ' 114' ' ' VAL . 17.1 pt-20 -69.33 -33.46 73.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.85 -28.5 68.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.75 71.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.928 HG22 ' O ' ' A' ' 111' ' ' GLU . 16.5 m -52.18 -22.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -92.62 -19.08 22.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.41 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 56.3 mt-30 -88.86 -38.58 14.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.839 ' SD ' HG12 ' A' ' 56' ' ' VAL . 25.9 ptt? -66.19 137.74 57.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.625 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -83.17 89.18 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.6 t -45.08 145.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.46 84.82 1.45 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -39.04 7.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.306 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.5 m -86.98 114.03 23.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.7 t -154.09 156.63 37.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m 52.31 44.99 29.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.835 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 p -94.31 152.92 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.62 -165.8 39.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -66.09 142.3 57.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -68.47 -53.75 21.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.71 73.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.22 43.62 1.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.34 -10.84 36.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -98.27 11.47 37.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LYS . 12.3 p -77.99 135.26 37.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' THR . 1.9 m-20 -35.98 -38.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -61.59 -48.81 79.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 11' ' ' THR . 24.8 mmmt -72.22 -24.38 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.557 HG21 HG11 ' A' ' 106' ' ' VAL . 94.1 mt -74.62 -46.56 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.717 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 6.9 ptm180 -66.76 -37.65 85.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 18.5 mt-30 -74.14 -33.13 63.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 14.2 ttm105 -70.09 -39.42 75.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.601 ' CE1' HD22 ' A' ' 77' ' ' LEU . 73.6 m-85 -105.34 13.33 30.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -66.87 -27.99 67.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.085 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -64.08 -29.39 70.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.481 ' HB3' HD13 ' A' ' 108' ' ' ILE . 24.6 mt -52.46 152.21 6.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -49.62 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.666 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -67.1 -171.1 4.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.407 ' C ' HG13 ' A' ' 108' ' ' ILE . 6.1 tp10 -112.89 135.12 54.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.663 HD22 ' HA ' ' A' ' 16' ' ' ARG . 8.6 tp -68.83 132.06 46.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -131.67 94.85 3.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.2 mt -88.57 108.02 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.967 HD11 ' HG3' ' A' ' 70' ' ' MET . 15.4 pt -125.49 136.26 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -97.3 113.82 25.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 64' ' ' ALA . 28.3 mt -109.67 121.98 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.39 119.99 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -55.84 120.59 7.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ASN . 21.8 t0 -79.43 176.43 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ASP . 14.0 pttm -36.64 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . 30.0 t30 -98.9 -41.31 7.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.482 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 143.01 -128.15 3.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.686 HD12 HD13 ' A' ' 96' ' ' ILE . 74.6 mt -101.75 -47.98 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.59 91.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.492 HD21 ' HB1' ' A' ' 64' ' ' ALA . 32.2 mt -144.16 136.64 26.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.471 ' HB2' ' N ' ' A' ' 57' ' ' GLY . 70.7 m -84.02 128.59 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 mt -120.4 147.73 44.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.08 118.0 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.04 150.29 8.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' LYS . 28.2 t-20 -46.39 144.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' ASN . 5.4 mtpm? -34.65 -46.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -98.98 125.07 44.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.5 ttp85 -50.82 -50.11 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.1 p -40.5 -35.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 mtt85 -85.34 140.75 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.4 tpp -116.73 101.36 8.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -149.19 135.7 19.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 92' ' ' ALA . 37.8 mt -99.53 107.28 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 56.7 m-85 -105.39 168.52 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.724 HG21 ' HE1' ' A' ' 70' ' ' MET . 82.9 t -112.97 98.0 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.523 HG11 ' HA ' ' A' ' 119' ' ' SER . 6.3 m -95.19 6.96 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' HB2' ' A' ' 41' ' ' SER . . . -172.0 152.79 18.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -134.82 105.73 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -44.59 113.03 1.58 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.4 Cg_endo -69.75 -3.56 12.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -103.59 -19.5 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.92 -174.15 46.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.6 Cg_endo -69.71 -47.97 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.521 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -39.0 -39.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.058 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -80.41 -44.37 19.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.25 -56.75 17.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -49.14 -35.23 16.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.3 39.3 94.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -118.51 -51.8 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.967 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.3 mtp -66.14 135.82 55.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HG3' ' NH2' ' A' ' 109' ' ' ARG . 14.8 mmt180 -124.2 176.87 6.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.9 mm -82.78 120.48 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.089 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.93 -16.52 6.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.544 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.547 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 71.2 m-20 -58.74 160.75 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.309 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 27.2 tt0 -131.54 98.51 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.462 HD13 HD11 ' A' ' 79' ' ' ILE . 96.5 mt -51.94 135.03 31.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.601 HD22 ' CE1' ' A' ' 19' ' ' TYR . 10.4 mt -119.47 -43.9 2.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.962 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -142.79 148.88 37.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.564 HG12 HD23 ' A' ' 105' ' ' LEU . 71.2 mt -147.65 135.56 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 38.5 t30 44.94 35.35 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.9 t30 71.93 41.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -142.73 108.36 5.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.48 129.08 29.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.477 ' CD2' HD12 ' A' ' 95' ' ' ILE . 8.8 mt -99.36 -21.3 16.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -46.34 98.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.54 3.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -144.31 163.17 34.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.9 p -78.31 147.92 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -51.09 -42.62 60.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -49.51 -41.99 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 63.8 m-20 -60.57 -52.18 66.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.451 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -41.02 -63.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.6 t -44.11 -39.54 4.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -57.37 -55.35 35.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 84' ' ' LEU . 72.8 mt -50.48 -43.08 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.686 HD13 HD12 ' A' ' 38' ' ' LEU . 98.3 mt -62.15 -47.31 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -50.86 -42.76 59.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.2 p -77.45 -27.59 52.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.4 149.5 91.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.561 0.696 . . . . 0.0 111.119 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 101' ' ' SER . 54.1 Cg_endo -69.71 169.59 18.48 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 100' ' ' PRO . 1.2 t -35.78 -63.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.47 123.0 25.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.3 t -130.44 142.86 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -100.18 120.88 40.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.564 HD23 HG12 ' A' ' 79' ' ' ILE . 5.2 mt -109.74 121.81 46.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.557 HG11 HG21 ' A' ' 15' ' ' ILE . 76.8 t -113.37 102.49 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 17.9 p90 -131.65 175.15 9.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.666 HD11 ' C ' ' A' ' 24' ' ' GLY . 10.8 tt -119.2 142.05 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.418 ' NH2' ' HG3' ' A' ' 71' ' ' ARG . 2.2 tpp85 -100.59 109.61 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 113' ' ' ALA . 30.5 t-20 -136.29 106.97 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.949 ' O ' HG22 ' A' ' 114' ' ' VAL . 5.1 tp10 -44.35 -42.09 6.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -62.09 -33.16 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 110' ' ' ASN . . . -50.37 -43.21 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.949 HG22 ' O ' ' A' ' 111' ' ' GLU . 18.8 m -47.27 -28.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -87.26 -47.07 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -56.94 -35.47 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.511 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 18.9 ptt? -72.53 123.29 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 117' ' ' MET . . . -33.95 -37.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.523 ' HA ' HG11 ' A' ' 56' ' ' VAL . 32.3 p 53.45 42.2 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -175.38 85.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.443 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 1.99 3.91 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' SER . 99.0 p -67.16 155.15 39.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' SER . 67.0 p 35.25 37.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -62.75 -22.58 66.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.365 . . . . 0.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -115.04 89.73 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.4 -142.64 3.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -120.56 103.13 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -102.47 136.51 42.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.9 71.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.67 25.02 4.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.31 0.12 15.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -115.32 27.65 9.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 21.5 p -80.84 144.14 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -38.48 -41.59 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -61.07 -41.87 97.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 14.8 mmtp -78.59 -27.38 45.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.483 HG22 HD21 ' A' ' 26' ' ' LEU . 84.2 mt -71.87 -45.3 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.809 ' HA ' HD22 ' A' ' 26' ' ' LEU . 36.2 ptt180 -66.72 -39.23 87.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -74.06 -31.19 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -69.84 -41.18 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.449 ' CG ' HD13 ' A' ' 77' ' ' LEU . 76.6 m-85 -103.12 11.57 36.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.14 -21.91 66.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -31.86 69.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.6 mt -52.4 151.77 7.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -63.49 -171.5 1.87 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -112.33 133.77 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.809 HD22 ' HA ' ' A' ' 16' ' ' ARG . 8.7 tp -71.24 133.77 46.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -138.21 108.58 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.9 mt -99.94 114.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.933 HD11 ' HG3' ' A' ' 70' ' ' MET . 49.7 pt -128.03 137.72 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -98.12 108.81 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.617 HD21 HD12 ' A' ' 29' ' ' ILE . 22.8 mt -104.83 126.0 51.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -79.61 110.99 15.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.726 ' HZ2' HG21 ' A' ' 103' ' ' VAL . 17.1 mtmm -46.54 120.51 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 36' ' ' ASN . 27.4 t0 -79.3 179.75 7.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -44.23 -22.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 34' ' ' ASP . 7.3 p30 -108.63 -39.79 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.57 -172.93 15.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.428 HD13 HD11 ' A' ' 105' ' ' LEU . 21.3 mt -66.13 74.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.34 93.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.601 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.2 mt -137.98 139.59 39.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 m -92.8 111.2 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -95.71 150.82 19.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.98 128.67 10.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -65.66 136.84 36.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.436 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' LYS . 26.3 t-20 -35.68 141.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 27.5 mttm -34.69 -46.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.47 109.57 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -47.87 -47.23 31.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.9 m -46.46 -28.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -89.4 94.64 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.9 tpt -70.88 94.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.6 149.05 30.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 mt -105.68 143.8 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 49.7 m-85 -140.08 173.58 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.538 HG21 ' CE ' ' A' ' 70' ' ' MET . 97.3 t -114.74 100.67 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.2 m -100.72 19.14 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.08 151.49 7.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' A' ' 64' ' ' ALA . 96.0 mt -134.23 98.96 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.169 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 58' ' ' ILE . 5.2 t-20 -34.84 120.8 0.57 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -12.66 33.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.25 . . . . 0.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -104.7 -6.53 20.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.01 -178.33 47.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.17 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.731 2.287 . . . . 0.0 112.275 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -43.72 -41.31 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.33 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.43 -50.93 57.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -64.72 -29.37 70.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.72 40.11 98.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -112.92 -57.52 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.933 ' HG3' HD11 ' A' ' 29' ' ' ILE . 15.5 mtp -61.31 137.4 58.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 -120.53 175.51 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.3 mm -83.48 122.59 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.95 -17.0 9.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.462 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -55.04 142.49 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.836 0.351 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 43.2 tt0 -110.75 94.1 4.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.411 HD13 HD11 ' A' ' 79' ' ' ILE . 93.4 mt -47.09 136.48 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.449 HD13 ' CG ' ' A' ' 19' ' ' TYR . 25.7 mt -117.73 -42.38 2.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.426 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.6 mt-10 -146.82 157.99 43.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.45 ' CD1' HD11 ' A' ' 84' ' ' LEU . 74.5 mt -153.6 110.79 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 63.33 44.54 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.2 t30 66.48 48.19 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' A' ' 95' ' ' ILE . 36.9 mt-30 -149.82 110.2 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.1 mt -72.15 130.56 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.58 ' CD2' HD12 ' A' ' 95' ' ' ILE . 10.3 mt -101.68 -22.36 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -39.97 107.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.78 29.88 6.35 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -139.68 169.05 18.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 86.6 p -87.25 150.47 23.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -59.23 -18.08 33.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -71.91 -25.62 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -80.64 -41.45 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.078 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -56.53 -41.04 76.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.92 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.58 HD12 ' CD2' ' A' ' 84' ' ' LEU . 66.2 mt -56.52 -44.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.184 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.448 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 49.0 mt -62.82 -44.54 99.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -55.53 -35.45 65.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.5 p -87.13 -19.31 28.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.484 ' HB3' ' HZ1' ' A' ' 33' ' ' LYS . . . -73.79 151.29 88.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.577 0.704 . . . . 0.0 111.073 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 173.21 11.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.652 2.234 . . . . 0.0 112.311 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.9 m -45.39 -63.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -76.44 112.63 13.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.726 HG21 ' HZ2' ' A' ' 33' ' ' LYS . 13.4 t -122.62 147.69 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -107.79 108.47 19.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.481 ' CD1' HD12 ' A' ' 31' ' ' LEU . 6.0 mt -92.95 139.16 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.448 HG11 HG21 ' A' ' 15' ' ' ILE . 95.3 t -125.95 102.97 10.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 39.2 p90 -128.82 179.63 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.525 HD11 ' C ' ' A' ' 24' ' ' GLY . 10.2 tt -128.16 124.45 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -78.77 140.57 38.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -168.29 132.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.6 ' O ' HG22 ' A' ' 114' ' ' VAL . 10.1 pt-20 -75.61 -21.47 57.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.4 -23.97 37.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -56.29 -50.76 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 111' ' ' GLU . 33.0 m -40.55 -35.73 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -74.28 -40.21 62.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 113' ' ' ALA . 75.4 mm-40 -70.18 -51.74 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.459 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -53.77 140.38 30.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -79.45 -175.6 4.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 77.8 p -138.96 112.0 7.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.67 87.44 0.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -23.21 30.7 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.662 2.242 . . . . 0.0 112.278 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.2 m -61.34 -47.99 83.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 m -128.26 126.81 41.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -89.7 131.72 35.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -125.75 110.02 13.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.05 -48.01 6.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -129.08 112.34 13.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 t -95.04 -51.29 4.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.11 74.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.752 ' O ' HG23 ' A' ' 11' ' ' THR . 0.5 OUTLIER -102.47 22.98 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.13 2.06 9.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -107.7 19.89 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 8' ' ' ASP . 22.3 p -89.91 139.11 30.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 11' ' ' THR . 8.1 t0 -37.18 -39.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -56.94 -47.06 81.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' THR . 5.3 mmpt? -74.74 -29.95 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.658 HG21 HG11 ' A' ' 106' ' ' VAL . 97.8 mt -67.84 -53.97 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.817 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.0 ptt180 -56.96 -40.49 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 25.7 mt-30 -75.95 -32.24 59.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -66.09 -46.54 77.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.618 ' CE1' HD22 ' A' ' 77' ' ' LEU . 83.5 m-85 -99.94 13.81 32.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -64.07 -19.85 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.58 -16.16 60.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' A' ' 108' ' ' ILE . 40.6 mt -66.42 152.52 94.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.608 ' O ' HD11 ' A' ' 108' ' ' ILE . . . -64.63 -175.6 4.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -108.98 126.03 52.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.867 0.365 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.817 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.4 tp -62.42 127.24 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -130.14 106.85 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.438 HG12 HG22 ' A' ' 106' ' ' VAL . 52.0 mt -99.57 115.92 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.892 HD11 ' HG3' ' A' ' 70' ' ' MET . 24.2 pt -130.15 139.72 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -100.06 122.94 43.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.3 mt -121.36 133.79 55.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -89.13 112.91 24.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -37.47 117.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -75.19 -175.17 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -45.44 -24.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -116.76 -20.04 9.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.32 -178.71 26.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.552 HD23 ' HG3' ' A' ' 63' ' ' PRO . 17.2 mt -58.98 109.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' HG ' ' A' ' 40' ' ' LEU . . . -100.83 110.53 3.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' C ' ' A' ' 39' ' ' GLY . 6.4 mt -147.2 137.35 23.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 110.937 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.7 m -90.04 103.0 15.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.7 mt -90.81 149.19 22.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.24 130.68 14.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.92 168.77 4.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.8 t-20 -76.12 139.91 41.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' ASN . 61.8 mttt -35.03 -48.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.68 112.45 22.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -49.4 -50.19 41.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.6 m -46.98 -33.7 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -89.24 123.93 33.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.437 ' HE3' ' O ' ' A' ' 86' ' ' GLY . 4.4 mmm -99.4 129.18 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 m -174.96 142.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.6 mt -109.1 115.36 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 73.3 m-85 -111.51 170.08 8.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.402 HG21 ' HE2' ' A' ' 70' ' ' MET . 97.7 t -112.99 95.99 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.601 HG11 ' HA ' ' A' ' 119' ' ' SER . 5.6 m -96.49 23.74 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.41 149.27 6.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.8 mt -131.27 98.97 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.425 ' CG ' ' HG2' ' A' ' 61' ' ' GLU . 11.2 t-20 -39.29 118.32 1.18 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -4.43 14.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' HG2' ' CG ' ' A' ' 59' ' ' ASN . 4.4 pt-20 -101.38 -23.27 14.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.61 -178.58 51.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HG3' HD23 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.73 -48.67 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.31 -41.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.65 68.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.27 -48.67 74.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -61.74 -39.94 93.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.27 31.91 63.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -106.6 -52.69 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.892 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.3 mtp -62.96 137.55 58.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 5.7 mmm180 -124.13 168.74 12.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.2 mm -76.34 121.56 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.35 -21.44 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.599 ' CG ' ' CD1' ' A' ' 107' ' ' PHE . 77.4 m-20 -54.12 146.76 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -116.86 98.08 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.432 HD13 HD11 ' A' ' 79' ' ' ILE . 91.9 mt -50.35 127.25 16.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.618 HD22 ' CE1' ' A' ' 19' ' ' TYR . 19.8 mt -108.82 -45.97 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -144.38 155.98 44.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.733 HD12 HD11 ' A' ' 84' ' ' LEU . 66.1 mt -151.05 139.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' ILE . 13.1 t30 35.96 48.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 62.26 54.77 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -158.63 114.73 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.5 mt -73.03 129.12 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 79' ' ' ILE . 17.9 mt -99.87 -21.91 15.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -44.45 106.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.437 ' O ' ' HE3' ' A' ' 51' ' ' MET . . . 114.39 -38.17 3.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -75.23 176.99 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.6 p -87.06 162.27 17.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -67.48 -34.91 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -59.38 -40.86 87.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -61.29 -42.32 98.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.95 -53.67 46.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -54.05 -34.81 61.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.12 91.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.2 -40.71 88.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.98 -44.72 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -53.56 -45.3 69.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.3 p -76.04 -19.69 58.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.69 152.31 93.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.619 0.724 . . . . 0.0 111.071 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 173.71 10.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 m -42.53 -64.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -77.06 110.58 11.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -116.0 141.9 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -97.82 125.33 42.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.8 mt -117.4 128.19 54.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.658 HG11 HG21 ' A' ' 15' ' ' ILE . 96.1 t -120.18 101.59 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.599 ' CD1' ' CG ' ' A' ' 74' ' ' ASP . 50.9 p90 -125.46 177.69 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 24' ' ' GLY . 7.6 tt -125.43 123.66 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -79.67 110.09 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -134.21 106.75 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.802 ' O ' HG22 ' A' ' 114' ' ' VAL . 11.9 tt0 -53.52 -22.91 9.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -78.26 -31.81 49.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.93 -37.52 63.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 111' ' ' GLU . 24.4 m -49.23 -24.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -88.85 -46.88 8.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -54.7 -65.13 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.54 ' SD ' HG12 ' A' ' 56' ' ' VAL . 13.1 ptt? -42.56 128.41 3.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -43.77 -46.67 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.601 ' HA ' HG11 ' A' ' 56' ' ' VAL . 5.2 t 71.98 38.85 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.72 83.46 0.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.529 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 151.12 69.02 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.5 p -93.39 156.78 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 96.8 p -104.26 131.63 51.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -85.77 162.73 18.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -152.11 125.64 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.16 87.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 p -144.0 131.48 21.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -163.87 156.35 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.29 59.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.56 32.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.65 -3.34 57.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -110.96 19.62 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' LYS . 24.5 p -82.17 134.54 35.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -36.96 -48.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -55.57 -41.28 73.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' THR . 28.2 mmtm -78.37 -28.11 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.581 HG21 HG11 ' A' ' 106' ' ' VAL . 93.9 mt -70.02 -48.67 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.543 ' HA ' HD22 ' A' ' 26' ' ' LEU . 32.9 ptt180 -62.56 -42.33 99.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -70.17 -31.46 68.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 18' ' ' ARG . 15.5 ttm105 -69.35 -40.86 77.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.549 ' CD2' HD13 ' A' ' 77' ' ' LEU . 69.7 m-85 -104.1 14.55 30.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -66.3 -18.18 65.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.95 -28.1 49.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.549 ' HB3' HD13 ' A' ' 108' ' ' ILE . 24.3 mt -51.43 152.77 4.23 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -49.16 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.337 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.699 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.52 -167.6 2.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -119.28 121.88 40.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.543 HD22 ' HA ' ' A' ' 16' ' ' ARG . 3.7 tp -60.86 129.15 40.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -131.1 99.68 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.488 HG12 HG22 ' A' ' 106' ' ' VAL . 70.5 mt -88.96 109.5 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.905 HD11 ' HG3' ' A' ' 70' ' ' MET . 16.0 pt -128.34 136.42 60.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -89.91 113.78 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.565 HD13 ' HA ' ' A' ' 64' ' ' ALA . 18.8 mt -107.67 118.92 38.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 108.79 12.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.598 ' HZ2' HG21 ' A' ' 103' ' ' VAL . 10.7 mtmm -44.85 122.34 3.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' ASN . 23.3 t0 -79.85 177.41 8.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -40.77 -24.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' ASP . 12.7 p30 -107.96 -39.53 5.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.12 -174.41 15.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.47 HD13 HD21 ' A' ' 105' ' ' LEU . 14.1 mt -64.84 89.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.14 97.09 1.51 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.419 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.5 mt -135.77 137.86 42.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.353 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -84.83 105.37 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.417 ' CB ' ' HB2' ' A' ' 89' ' ' HIS . 36.9 mt -91.03 144.77 25.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.578 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -149.41 119.1 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -58.88 135.41 52.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 46' ' ' LYS . 26.0 t-20 -35.7 137.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.384 . . . . 0.0 110.866 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.823 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 41.5 mttm -34.16 -43.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -90.69 109.73 20.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -55.93 -23.23 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.0 p -65.47 -22.22 66.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -105.18 93.32 4.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 tpt -65.94 99.39 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.85 150.25 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' A' ' 89' ' ' HIS . 62.1 mt -116.17 130.52 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 77.2 m-85 -128.86 -177.43 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.1 t -121.24 102.12 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.444 ' HA ' HG23 ' A' ' 72' ' ' ILE . 5.5 m -102.18 20.63 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.17 149.35 7.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.5 mt -135.05 98.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.377 . . . . 0.0 111.097 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 23.6 t30 -45.13 125.17 5.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.96 27.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -99.61 -17.22 17.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.51 179.2 53.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.414 ' CG ' HD23 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.75 -45.82 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.673 2.248 . . . . 0.0 112.349 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.565 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -46.77 -40.85 14.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -65.69 -42.85 90.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.7 98.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -62.31 -45.95 90.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.74 -20.01 10.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -64.15 -47.07 81.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.905 ' HG3' HD11 ' A' ' 29' ' ' ILE . 4.5 mtp -64.29 137.36 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -133.86 170.81 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.444 HG23 ' HA ' ' A' ' 56' ' ' VAL . 6.7 mm -75.43 119.8 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 113' ' ' ALA . . . 126.92 -12.51 6.85 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.562 ' CG ' ' CE1' ' A' ' 107' ' ' PHE . 91.3 m-20 -60.62 146.32 45.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.732 0.301 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -116.64 96.78 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.826 HD13 HD11 ' A' ' 79' ' ' ILE . 70.1 mt -52.74 109.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.549 HD13 ' CD2' ' A' ' 19' ' ' TYR . 20.4 mt -91.22 -42.59 10.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -144.88 158.11 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.826 HD11 HD13 ' A' ' 76' ' ' LEU . 57.1 mt -153.57 130.57 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.52 ' ND2' ' O ' ' A' ' 80' ' ' ASN . 2.6 t30 45.47 42.33 7.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 m120 67.36 54.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -158.8 114.38 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.62 129.09 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.477 HD11 HD12 ' A' ' 79' ' ' ILE . 10.8 mt -97.8 -22.82 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -40.72 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 114.2 29.19 2.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -141.76 165.94 26.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.6 p -86.59 145.49 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.472 ' HA ' HD13 ' A' ' 53' ' ' ILE . 15.2 p80 -49.37 -30.81 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.0 -35.39 73.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -72.21 -44.01 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -49.1 -53.79 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.6 p -51.24 -40.75 59.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.98 -49.5 76.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 69.7 mt -57.62 -36.91 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.3 mt -68.11 -46.75 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -49.83 -44.55 49.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.8 p -72.97 -31.27 64.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.456 ' O ' ' NZ ' ' A' ' 33' ' ' LYS . . . -64.61 146.9 98.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -171.52 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.2 p -50.75 -61.1 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -79.41 120.7 24.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.598 HG21 ' HZ2' ' A' ' 33' ' ' LYS . 21.7 t -129.57 131.1 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.424 ' HE3' HG21 ' A' ' 28' ' ' ILE . 42.7 tttp -81.97 116.76 21.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 38' ' ' LEU . 9.8 mt -109.48 104.41 13.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 15' ' ' ILE . 88.5 t -98.68 102.65 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.562 ' CE1' ' CG ' ' A' ' 74' ' ' ASP . 47.5 p90 -128.2 178.47 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.699 HD11 ' C ' ' A' ' 24' ' ' GLY . 5.8 tt -128.26 125.47 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -81.36 94.91 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -116.58 116.17 27.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 114' ' ' VAL . 1.6 tp10 -55.16 -33.05 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.11 -25.14 64.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -48.32 -50.57 29.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 111' ' ' GLU . 19.6 m -49.69 -28.19 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -85.34 -22.92 28.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -87.92 -59.26 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.487 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 18.0 ptt? -52.93 144.1 15.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.823 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -89.97 97.59 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.08 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.9 t -55.85 138.61 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 90.6 88.19 1.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 148.96 66.22 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.633 2.222 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.2 p -109.02 115.07 29.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.4 p -146.06 161.38 40.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -157.83 155.54 29.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -84.75 45.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.14 122.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -143.91 168.88 18.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.82 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.0 p -120.19 -59.65 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.95 70.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.45 ' O ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -95.87 29.11 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.75 -4.45 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -102.02 24.57 9.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 8' ' ' ASP . 59.7 p -90.08 144.38 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.82 -59.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -47.14 -37.18 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -77.22 -38.31 51.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.594 HG22 HD21 ' A' ' 26' ' ' LEU . 95.5 mt -63.48 -49.78 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.723 ' HA ' HD22 ' A' ' 26' ' ' LEU . 12.2 ptt85 -64.93 -38.66 91.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.61 -28.99 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -72.52 -39.83 67.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.648 ' CE1' HD22 ' A' ' 77' ' ' LEU . 77.7 m-85 -104.62 13.92 30.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.96 -26.48 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -67.03 -29.44 69.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 108' ' ' ILE . 20.4 mt -52.95 152.35 7.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.59 0.71 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.756 ' O ' HD11 ' A' ' 108' ' ' ILE . . . -70.22 177.72 31.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.47 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.83 129.73 48.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.723 HD22 ' HA ' ' A' ' 16' ' ' ARG . 9.6 tp -61.11 128.59 37.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -127.78 98.43 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.537 HG12 HG22 ' A' ' 106' ' ' VAL . 80.6 mt -94.93 110.78 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.826 HD11 ' HG3' ' A' ' 70' ' ' MET . 29.5 pt -124.81 147.86 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.49 123.14 43.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.642 HD21 HD12 ' A' ' 29' ' ' ILE . 60.7 mt -124.42 134.37 53.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -95.26 119.43 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -43.75 117.12 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -76.54 173.97 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.6 pttp -34.58 -36.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -104.27 -22.83 13.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 105.64 174.1 23.9 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.648 HD13 HD11 ' A' ' 105' ' ' LEU . 17.1 mt -54.12 113.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.918 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.7 112.41 4.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -148.38 136.36 20.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -87.77 104.76 16.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.551 HD22 HG22 ' A' ' 53' ' ' ILE . 28.8 mt -92.37 150.95 20.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -155.77 113.13 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -45.58 143.68 3.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' LYS . 23.0 t-20 -49.4 137.74 14.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.695 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 57.1 mttm -35.44 -52.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.68 108.54 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -47.07 -55.96 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -40.28 -36.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -90.02 96.61 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.538 ' HE3' ' O ' ' A' ' 86' ' ' GLY . 6.0 mmm -76.03 125.68 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.02 144.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.551 HG22 HD22 ' A' ' 42' ' ' LEU . 22.4 mt -108.92 120.13 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 79.7 m-85 -113.96 178.68 4.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -119.97 95.52 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.711 HG12 ' SD ' ' A' ' 117' ' ' MET . 5.2 m -94.27 17.54 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.45 145.8 6.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -134.82 97.06 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.504 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 14.7 t30 -39.05 125.4 1.26 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.672 0.748 . . . . 0.0 110.832 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -17.58 37.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -95.92 -14.36 23.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.87 173.39 55.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -36.83 9.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.278 . . . . 0.0 112.319 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.41 -34.0 66.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -73.22 -37.78 66.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.64 84.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.416 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 6.6 t70 -66.33 -51.39 57.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.49 -20.8 38.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.621 ' HB2' HD13 ' A' ' 29' ' ' ILE . 7.7 mmt180 -62.36 -50.58 71.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.826 ' HG3' HD11 ' A' ' 29' ' ' ILE . 9.9 mtp -68.36 144.04 54.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -142.73 178.86 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.6 mm -77.61 122.0 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 124.61 -26.32 5.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 81.9 m-20 -48.55 155.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.299 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 66.7 tt0 -128.19 95.66 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.0 mt -51.56 113.41 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' A' ' 19' ' ' TYR . 12.7 mt -94.93 -45.29 7.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -141.76 156.02 45.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.858 HD12 HD11 ' A' ' 84' ' ' LEU . 89.8 mt -152.75 140.31 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.422 ' HB2' HG13 ' A' ' 103' ' ' VAL . 31.5 t30 37.99 40.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 68.28 41.99 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' ILE . 5.6 mm100 -144.68 113.16 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.6 mt -70.71 126.48 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.858 HD11 HD12 ' A' ' 79' ' ' ILE . 10.6 mt -95.53 -24.37 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -45.63 104.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.538 ' O ' ' HE3' ' A' ' 51' ' ' MET . . . 118.76 -38.36 2.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.5 mtt-85 -77.6 176.22 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.6 m -91.27 146.64 23.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -50.17 -38.72 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' HG3' ' C ' ' A' ' 124' ' ' GLY . 10.0 mm100 -51.27 -42.25 60.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.52 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 4.2 m120 -65.12 -46.57 80.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -38.85 -64.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.0 p -49.8 -37.81 31.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -58.94 -43.76 91.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.42 HD12 ' CD2' ' A' ' 84' ' ' LEU . 67.7 mt -63.33 -41.45 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.8 mt -65.27 -46.56 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -52.78 -43.0 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 80.5 p -76.26 -26.87 56.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.417 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -65.96 155.79 85.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.569 0.699 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.7 Cg_endo -69.84 176.26 7.07 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.9 m -47.29 -58.97 3.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -81.61 117.19 21.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.422 HG13 ' HB2' ' A' ' 80' ' ' ASN . 21.8 t -126.72 147.98 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 28' ' ' ILE . 71.8 tttt -101.67 122.91 44.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.648 HD11 HD13 ' A' ' 38' ' ' LEU . 11.9 mt -111.79 120.59 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.537 HG22 HG12 ' A' ' 28' ' ' ILE . 97.7 t -111.09 99.94 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.58 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 26.0 p90 -123.89 176.86 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.756 HD11 ' O ' ' A' ' 24' ' ' GLY . 6.2 tt -121.52 125.68 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -80.0 87.07 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -116.08 114.75 24.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.78 ' O ' HG22 ' A' ' 114' ' ' VAL . 2.8 pp20? -65.08 -27.08 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.3 -28.83 64.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.23 -36.84 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.78 HG22 ' O ' ' A' ' 111' ' ' GLU . 26.7 m -43.05 -39.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.459 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 28.8 m-80 -83.08 -42.95 16.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -57.62 -62.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.711 ' SD ' HG12 ' A' ' 56' ' ' VAL . 26.0 ptt? -48.56 143.69 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -88.37 98.83 11.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.6 t -50.33 163.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.85 88.61 0.51 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 116.59 4.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.649 2.233 . . . . 0.0 112.328 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.9 p -81.25 151.54 28.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 59.5 m -98.05 82.42 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.418 ' C ' ' HG3' ' A' ' 90' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m -56.4 110.17 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -69.47 120.69 15.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.44 135.28 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -72.11 163.74 27.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -93.48 -52.5 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.41 93.27 0.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -95.75 38.21 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.337 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.68 -3.66 58.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -105.15 25.8 10.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' ASP . 62.7 p -87.19 140.03 29.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -34.44 -61.88 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -44.35 -44.72 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' THR . 6.2 mmpt? -70.97 -37.57 72.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.673 HG22 HD21 ' A' ' 26' ' ' LEU . 96.4 mt -62.26 -54.11 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.678 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 23.7 ptt180 -59.75 -41.41 90.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -72.84 -31.26 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.3 ttm-85 -69.35 -40.05 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -108.15 14.13 25.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -64.36 -18.41 64.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -73.79 -29.39 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.6 mt -52.37 151.71 7.08 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -49.3 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.599 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.27 -177.47 7.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -107.93 124.76 50.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.673 HD21 HG22 ' A' ' 15' ' ' ILE . 7.8 tp -62.29 130.1 43.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -131.11 100.84 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.616 HG21 ' HE3' ' A' ' 104' ' ' LYS . 40.2 mt -93.15 120.54 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.87 HD12 HD21 ' A' ' 31' ' ' LEU . 33.5 pt -133.57 143.02 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -97.88 113.1 24.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.87 HD21 HD12 ' A' ' 29' ' ' ILE . 21.5 mt -113.86 120.26 40.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -78.64 124.95 28.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -51.42 112.81 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' ASN . 20.7 t70 -71.25 175.69 5.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 24.0 tptp -34.35 -34.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' ASP . 8.9 t-20 -105.72 -31.01 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 122.71 -157.09 17.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.606 HD23 ' HG3' ' A' ' 63' ' ' PRO . 25.8 mt -84.17 95.75 8.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.361 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.6 106.34 2.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 58' ' ' ILE . 28.5 mt -146.75 135.46 22.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.5 m -87.29 125.59 34.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.9 mt -112.53 147.64 36.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.75 133.83 15.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.92 155.73 41.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' LYS . 34.2 t-20 -63.1 142.13 58.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' ASN . 29.7 mttp -34.23 -51.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -86.61 108.28 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -44.24 -53.34 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 m -40.09 -34.29 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -89.58 102.97 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.1 tpp -84.08 104.23 13.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -147.3 148.66 31.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.7 mt -110.85 121.3 63.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 79.1 m-85 -117.77 173.26 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.563 HG21 ' CE ' ' A' ' 70' ' ' MET . 87.6 t -115.06 87.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.0 m -87.06 24.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.07 144.73 4.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 40' ' ' LEU . 91.2 mt -132.41 110.38 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 4.2 t-20 -47.8 121.77 8.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -27.54 26.05 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.43 ' CG ' ' OD1' ' A' ' 59' ' ' ASN . 11.9 pt-20 -91.18 -10.87 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.39 -178.7 52.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.606 ' HG3' HD23 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.72 -46.3 1.29 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.46 -43.11 11.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -69.83 -50.67 40.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.063 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.62 -51.29 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -57.99 -44.75 87.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.52 42.63 21.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' ' NH2' ' A' ' 109' ' ' ARG . 3.4 mmp_? -121.49 -50.23 2.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.804 ' HG3' HD11 ' A' ' 29' ' ' ILE . 18.5 mtp -67.13 137.46 56.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -128.13 172.88 10.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.414 HG22 ' CE ' ' A' ' 117' ' ' MET . 6.8 mm -77.16 119.16 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.79 -19.28 6.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.481 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.479 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 66.2 m-20 -58.68 136.95 57.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 29.8 tt0 -108.48 95.74 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -46.49 140.53 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -123.76 -41.49 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -143.8 152.91 41.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.58 HG12 HD23 ' A' ' 105' ' ' LEU . 67.6 mt -153.55 121.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 40.4 t30 58.91 33.11 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 73.54 39.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -139.86 114.52 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.3 mt -70.83 126.81 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.525 ' CD2' HD12 ' A' ' 95' ' ' ILE . 9.8 mt -98.59 -24.86 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -42.93 105.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.02 24.13 7.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -137.73 168.22 20.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.765 0.317 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.5 p -79.54 147.43 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -57.09 -33.22 67.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -59.92 -36.46 77.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 68.5 m-20 -65.83 -46.72 77.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.88 -60.21 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.7 t -47.73 -43.62 27.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -55.14 -49.31 72.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 84' ' ' LEU . 71.2 mt -54.72 -40.95 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 58.1 mt -64.13 -47.37 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -50.34 -44.1 54.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.0 p -75.68 -24.97 56.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.49 151.75 96.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.711 . . . . 0.0 111.058 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.9 Cg_endo -69.76 168.33 21.89 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' PRO . 8.2 m -38.05 -62.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.59 118.12 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.57 141.85 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.616 ' HE3' HG21 ' A' ' 28' ' ' ILE . 38.3 tttp -98.75 109.95 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.705 ' CD1' HD12 ' A' ' 31' ' ' LEU . 4.8 mt -97.59 138.87 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 67.0 t -127.76 104.23 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.55 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 46.8 p90 -129.81 173.12 10.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.599 HD11 ' C ' ' A' ' 24' ' ' GLY . 10.2 tt -117.17 144.25 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 69' ' ' ARG . 26.2 ttm180 -99.84 83.13 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -105.35 107.94 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 114' ' ' VAL . 10.0 tp10 -59.03 -16.77 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -89.52 -14.2 35.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -67.21 -46.0 75.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.1 m -42.77 -28.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -83.27 -35.37 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 113' ' ' ALA . 68.4 mt-30 -72.88 -47.45 45.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.527 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.63 120.14 6.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.33 -45.18 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.474 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 1.0 OUTLIER 74.44 33.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.773 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -140.53 89.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.71 3.29 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.704 2.27 . . . . 0.0 112.351 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.1 p -41.37 137.03 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.0 t -46.81 113.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.499 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -164.51 137.47 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.884 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -80.06 153.33 28.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.8 -174.94 24.0 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.533 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 t -121.82 150.88 41.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.83 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 p -46.56 -52.06 14.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.95 95.08 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.7 26.35 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.339 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.93 3.97 7.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.766 ' O ' HD11 ' A' ' 15' ' ' ILE . 96.3 m-85 -116.25 17.63 15.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 12' ' ' ASP . 27.5 p -75.44 135.33 40.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.619 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.1 m-20 -34.73 -40.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.53 -51.48 67.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' THR . 15.4 mmtp -70.04 -21.02 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.766 HD11 ' O ' ' A' ' 10' ' ' PHE . 57.9 mt -77.93 -53.94 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.874 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 11.9 ptm180 -58.78 -35.69 73.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -75.7 -35.18 60.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.476 ' HG2' ' CD2' ' A' ' 19' ' ' TYR . 2.9 ttp-105 -68.9 -43.22 75.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 18' ' ' ARG . 86.7 m-85 -103.56 16.72 25.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.874 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -68.76 -23.16 64.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -72.1 -24.21 61.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' A' ' 108' ' ' ILE . 26.2 mt -55.49 151.21 21.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.734 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.722 2.281 . . . . 0.0 112.298 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.581 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.03 -169.54 3.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.407 ' C ' HG13 ' A' ' 108' ' ' ILE . 6.1 tt0 -113.94 126.97 55.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 16' ' ' ARG . 4.2 tp -69.21 134.51 49.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -136.04 107.7 7.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.524 HG21 ' HE3' ' A' ' 104' ' ' LYS . 45.2 mt -98.76 120.55 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.9 HD11 ' HG3' ' A' ' 70' ' ' MET . 35.7 pt -137.96 141.37 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -92.37 115.24 27.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.441 HD12 ' CD1' ' A' ' 105' ' ' LEU . 25.6 mt -108.68 119.08 38.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -83.21 111.36 18.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -39.46 120.12 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 36' ' ' ASN . 14.2 t0 -84.69 -175.79 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' ASP . 7.0 ptmm? -35.59 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' ASP . 39.6 m-20 -116.55 -13.82 10.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 98.85 -166.53 21.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.914 HD13 HD11 ' A' ' 105' ' ' LEU . 9.9 mt -68.14 105.33 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.4 117.01 5.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.538 HD21 ' CB ' ' A' ' 64' ' ' ALA . 19.3 mt -150.35 136.74 18.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.8 m -85.59 107.35 17.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.456 HD22 ' CG2' ' A' ' 53' ' ' ILE . 25.3 mt -96.84 146.6 24.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -149.8 114.54 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.458 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -47.6 148.82 3.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -47.09 145.19 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 33.4 mttm -46.42 -49.52 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.63 114.62 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -50.71 -50.16 55.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' ARG . 2.0 m -36.93 -37.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -87.87 151.53 22.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.63 119.16 22.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -170.22 167.03 8.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.897 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 92' ' ' ALA . 47.7 mt -116.17 133.02 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 75' ' ' GLU . 75.3 m-85 -129.36 168.89 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 74' ' ' ASP . 94.7 t -115.64 90.04 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.758 HG12 ' SD ' ' A' ' 117' ' ' MET . 5.1 m -88.01 20.52 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.66 152.42 8.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -134.56 98.86 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 4.3 t-20 -40.11 122.51 1.63 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -8.01 22.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -102.79 -14.94 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.06 176.86 50.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.487 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.5 Cg_endo -69.81 -41.83 3.88 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.538 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -49.4 -35.07 17.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -78.73 -33.35 46.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.92 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -66.96 -50.7 61.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.61 -22.03 35.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -41.65 96.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.9 ' HG3' HD11 ' A' ' 29' ' ' ILE . 6.0 mtp -72.61 137.02 45.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -134.13 174.81 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.42 HG22 ' CE ' ' A' ' 117' ' ' MET . 5.7 mm -75.01 121.1 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.25 -17.59 8.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.494 ' OD2' ' CE1' ' A' ' 107' ' ' PHE . 98.9 m-20 -58.48 125.1 21.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.553 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 47.1 tt0 -101.1 101.33 12.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.623 HD13 HD11 ' A' ' 79' ' ' ILE . 97.7 mt -49.77 144.61 6.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.5 mt -123.7 -41.78 2.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.433 ' C ' HG13 ' A' ' 79' ' ' ILE . 64.4 mt-10 -147.14 156.38 42.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.623 HD11 HD13 ' A' ' 76' ' ' LEU . 85.8 mt -152.85 136.31 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 40.85 35.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 73.55 48.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -145.63 109.08 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.9 mt -68.1 124.81 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.547 ' CD2' ' CD1' ' A' ' 95' ' ' ILE . 11.2 mt -98.3 -22.23 16.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -46.73 97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 114.51 23.3 4.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -137.71 179.94 6.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.319 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -91.94 155.29 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.526 ' CE1' ' HG2' ' A' ' 90' ' ' GLN . 27.9 p80 -60.71 -34.46 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . 0.526 ' HG2' ' CE1' ' A' ' 89' ' ' HIS . 14.0 mm100 -56.21 -32.14 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 3.1 m120 -68.23 -46.86 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -46.76 -69.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.7 p -39.4 -44.72 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -57.92 -46.02 85.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ILE . . . . . 0.547 ' CD1' ' CD2' ' A' ' 84' ' ' LEU . 53.2 mt -58.1 -42.53 83.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.82 -46.51 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -52.01 -43.77 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.2 p -72.96 -24.8 60.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.413 ' HB1' HG22 ' A' ' 103' ' ' VAL . . . -72.22 153.77 92.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 111.101 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -168.81 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.1 p -54.52 -59.78 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -83.18 106.16 14.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.489 ' HB ' HD11 ' A' ' 38' ' ' LEU . 38.9 t -112.47 128.75 68.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.524 ' HE3' HG21 ' A' ' 28' ' ' ILE . 22.9 tttp -79.64 124.42 28.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.914 HD11 HD13 ' A' ' 38' ' ' LEU . 11.6 mt -117.47 117.87 30.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.0 t -112.0 106.89 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.495 ' CZ ' ' HG2' ' A' ' 70' ' ' MET . 41.6 p90 -130.7 177.89 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.581 HD11 ' C ' ' A' ' 24' ' ' GLY . 8.0 tt -128.75 122.15 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -86.38 111.27 20.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -127.07 161.34 28.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.74 ' O ' HG22 ' A' ' 114' ' ' VAL . 17.0 pt-20 -89.57 -22.39 22.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -83.67 -23.91 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.66 -32.23 63.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 111' ' ' GLU . 21.5 m -68.28 -25.65 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASN . . . . . 0.539 ' OD1' HG23 ' A' ' 114' ' ' VAL . 24.6 m-20 -95.34 -12.89 25.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -94.22 -62.29 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.758 ' SD ' HG12 ' A' ' 56' ' ' VAL . 23.1 ptt? -47.26 138.6 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.663 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -84.29 100.12 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.6 t -60.22 114.79 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 129.97 88.9 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.35 3.59 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.7 t -113.59 102.71 10.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 t -58.41 -54.87 42.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.917 0.389 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 p -74.36 139.12 43.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.96 -57.51 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -46.59 -41.16 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -75.85 -34.19 60.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.595 HG22 HD21 ' A' ' 26' ' ' LEU . 86.9 mt -65.58 -49.48 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.699 ' HA ' HD22 ' A' ' 26' ' ' LEU . 24.8 ptt180 -64.31 -39.52 94.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -74.69 -29.53 61.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -70.13 -39.26 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CG ' HD13 ' A' ' 77' ' ' LEU . 80.1 m-85 -107.06 12.35 28.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.7 -19.88 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.48 -29.73 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.44 ' HB3' HD13 ' A' ' 108' ' ' ILE . 28.4 mt -55.56 151.26 21.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.22 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.368 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.79 -166.95 0.32 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -121.59 122.06 38.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.5 tp -56.52 129.28 40.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -128.27 100.18 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.7 mt -95.56 110.38 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.933 HD11 ' HG3' ' A' ' 70' ' ' MET . 38.3 pt -129.36 138.48 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -94.85 119.47 33.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 64' ' ' ALA . 57.2 mt -117.79 120.21 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -75.51 113.54 13.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -41.37 128.86 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 36' ' ' ASN . 20.4 t70 -87.9 175.84 7.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 34' ' ' ASP . 48.3 mtmt -34.24 -34.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' ASP . 3.7 t30 -106.52 -27.96 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 112.76 -167.32 12.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.696 HD23 ' HG3' ' A' ' 63' ' ' PRO . 20.0 mt -69.27 86.14 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.01 98.37 1.71 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.514 HD21 ' CB ' ' A' ' 64' ' ' ALA . 9.3 mt -136.96 136.77 38.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -83.07 114.75 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.428 HD22 HG22 ' A' ' 53' ' ' ILE . 43.3 mt -103.5 151.18 23.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.5 136.83 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.0 168.96 28.06 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' LYS . 23.4 t-20 -71.99 145.99 47.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' ASN . 46.4 mttm -35.05 -51.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -92.9 117.35 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -46.04 -52.16 12.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.9 m -42.28 -35.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -89.43 113.18 24.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.4 mmm -92.83 127.63 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -175.02 129.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.428 HG22 HD22 ' A' ' 42' ' ' LEU . 16.5 mt -92.56 114.02 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 117' ' ' MET . 62.9 m-85 -108.47 163.28 13.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 72' ' ' ILE . 57.9 t -105.75 96.89 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.438 HG12 ' SD ' ' A' ' 117' ' ' MET . 10.0 m -95.18 19.57 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.4 150.02 7.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 59' ' ' ASN . 93.8 mt -133.63 95.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 58' ' ' ILE . 41.3 t30 -37.71 120.64 0.95 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.649 0.738 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -5.75 16.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -104.62 -14.9 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.2 -178.32 52.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.696 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.4 Cg_endo -69.79 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.328 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.514 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -43.84 -34.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -76.25 -44.09 39.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.88 76.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -58.59 -44.69 89.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.97 33.28 41.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -110.53 -51.38 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.933 ' HG3' HD11 ' A' ' 29' ' ' ILE . 13.4 mtp -65.92 144.98 56.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -136.35 175.83 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 55' ' ' VAL . 9.2 mm -78.12 124.55 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.46 ' HA2' ' CE ' ' A' ' 117' ' ' MET . . . 122.51 -17.87 8.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.548 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 72.9 m-20 -59.63 141.27 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.484 ' HB3' HG22 ' A' ' 108' ' ' ILE . 39.3 tt0 -113.36 95.32 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' A' ' 107' ' ' PHE . 79.0 mt -48.59 139.44 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.562 HD13 ' CG ' ' A' ' 19' ' ' TYR . 27.2 mt -123.45 -40.74 2.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -147.58 151.75 36.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.632 HG13 HD11 ' A' ' 84' ' ' LEU . 24.0 mt -149.95 117.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.081 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 60.41 44.36 12.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 63.58 44.05 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -145.48 111.76 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.7 mt -68.81 130.6 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.632 HD11 HG13 ' A' ' 79' ' ' ILE . 9.3 mt -102.01 -23.61 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -42.86 109.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.96 -39.03 2.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -74.82 165.91 24.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.8 m -83.81 141.14 31.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 21.2 p80 -39.92 -42.02 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.563 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 38.3 mt-30 -49.16 -44.68 42.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -57.93 -53.49 57.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 95' ' ' ILE . . . -39.29 -60.45 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.066 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.0 p -48.42 -45.78 36.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.58 74.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.504 HD12 ' CD2' ' A' ' 84' ' ' LEU . 40.2 mt -56.44 -44.16 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.48 -43.93 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -53.14 -44.82 68.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.1 p -75.84 -24.8 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.43 150.34 97.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.8 Cg_endo -69.72 170.5 16.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' PRO . 1.1 t -36.98 -59.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -80.16 126.25 30.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.78 129.32 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -87.16 113.93 23.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 38' ' ' LEU . 6.0 mt -100.5 123.2 44.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 15' ' ' ILE . 88.5 t -115.26 101.0 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.569 ' HB3' HD23 ' A' ' 76' ' ' LEU . 17.8 p90 -126.54 -178.18 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.484 HG22 ' HB3' ' A' ' 75' ' ' GLU . 7.2 tt -124.91 145.38 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 -106.41 112.07 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -133.98 122.87 23.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -10.45 21.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.82 -19.11 19.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -50.37 -51.64 44.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 29.0 m -47.3 -30.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -81.52 -26.59 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' ALA . 61.0 mt-30 -81.65 -54.01 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.526 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -42.68 165.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.91 0.386 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' LYS . 40.4 p -73.65 141.65 46.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.26 -55.37 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -50.88 -36.43 37.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' THR . 53.2 mmtt -76.82 -37.69 55.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.572 HG22 HD21 ' A' ' 26' ' ' LEU . 79.9 mt -65.22 -53.15 43.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.758 ' HA ' HD22 ' A' ' 26' ' ' LEU . 13.2 ptm180 -59.4 -31.76 69.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -83.49 -29.29 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -71.24 -41.39 70.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.831 ' CE1' HD22 ' A' ' 77' ' ' LEU . 83.0 m-85 -103.21 13.07 34.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.2 -25.31 68.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.086 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.04 -24.51 64.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.6 ' HB3' HD13 ' A' ' 108' ' ' ILE . 21.5 mt -56.25 152.55 22.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.63 0.728 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.44 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.691 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -68.47 -167.54 4.51 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -115.16 127.68 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.758 HD22 ' HA ' ' A' ' 16' ' ' ARG . 6.6 tp -64.34 128.72 37.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -132.94 105.59 7.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.667 HG12 HG22 ' A' ' 106' ' ' VAL . 17.1 mt -98.11 117.01 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.971 HD11 ' HG3' ' A' ' 70' ' ' MET . 47.7 pt -131.88 137.51 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -94.19 120.96 35.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 64' ' ' ALA . 35.6 mt -120.32 119.75 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -75.67 116.75 16.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HA ' HD23 ' A' ' 38' ' ' LEU . 14.3 mtmt -44.09 122.41 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' GLY . 24.7 t0 -78.19 176.06 9.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 24.7 ttpt -34.39 -37.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' ASP . 34.7 m120 -103.18 -25.73 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 107.73 170.68 21.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.528 HD12 HD13 ' A' ' 96' ' ' ILE . 5.2 mt -42.67 112.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.36 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.49 103.38 2.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 64' ' ' ALA . 6.7 mt -146.72 135.53 22.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.3 m -87.36 115.58 24.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 mt -100.81 152.22 20.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -153.9 139.04 17.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.35 158.69 48.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 38.1 t-20 -60.86 146.27 47.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.466 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 38.3 mttm -34.46 -48.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -91.58 106.21 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.4 tpt180 -43.53 -53.49 5.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ARG . 32.7 t -35.27 -39.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -80.66 138.4 36.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.0 tpp -108.69 102.83 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -151.46 149.14 28.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.794 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.408 HD13 ' HB2' ' A' ' 92' ' ' ALA . 19.9 mt -113.15 135.34 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.524 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 76.6 m-85 -132.09 178.81 6.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.539 HG21 ' HE2' ' A' ' 70' ' ' MET . 56.0 t -118.39 88.34 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.9 m -87.17 22.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.83 150.22 7.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ASN . 83.8 mt -131.99 93.92 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.114 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' ILE . 37.7 t30 -34.92 118.83 0.57 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -6.25 18.11 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.384 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -108.71 -8.9 15.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.09 177.28 49.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -38.78 7.19 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -53.64 -36.67 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -74.02 -40.81 62.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.81 -54.47 46.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.61 -42.18 64.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.97 41.57 40.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -121.76 -52.01 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.971 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.9 mtp -60.77 137.56 58.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -123.73 174.26 7.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 55' ' ' VAL . 12.0 mm -79.7 128.21 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.04 -27.8 7.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 67.1 m-20 -46.67 140.62 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 25.0 tt0 -110.93 101.61 10.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 79' ' ' ILE . 94.5 mt -52.18 135.39 32.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.831 HD22 ' CE1' ' A' ' 19' ' ' TYR . 16.7 mt -117.39 -45.36 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -141.97 152.86 43.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.524 HD11 HD13 ' A' ' 76' ' ' LEU . 50.6 mt -153.67 134.83 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.422 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 18.6 t-20 45.16 37.43 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 m120 67.96 46.66 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -147.41 106.5 3.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.7 mt -65.14 124.95 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.483 ' CD2' HD12 ' A' ' 95' ' ' ILE . 11.5 mt -92.4 -33.03 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LEU . 54.7 t80 -35.79 98.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.99 14.37 7.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -129.88 172.7 11.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -89.16 149.01 23.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -53.22 -28.35 26.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -64.38 -37.03 86.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.401 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 22.9 m-20 -69.58 -43.52 72.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -44.97 -59.26 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.5 p -52.9 -41.24 64.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -55.8 -43.57 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.483 HD12 ' CD2' ' A' ' 84' ' ' LEU . 61.5 mt -62.32 -42.17 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.528 HD13 HD12 ' A' ' 38' ' ' LEU . 71.6 mt -63.94 -44.43 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -53.91 -42.92 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.3 p -74.89 -24.73 58.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.38 151.8 95.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.097 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.422 ' HD2' ' ND2' ' A' ' 80' ' ' ASN . 54.3 Cg_endo -69.74 172.44 12.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.36 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -40.32 -65.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -73.67 115.33 12.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 36.2 t -125.17 143.95 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.596 ' HE3' HG21 ' A' ' 28' ' ' ILE . 50.1 tttt -101.86 118.0 36.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mt -106.35 130.28 54.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.667 HG22 HG12 ' A' ' 28' ' ' ILE . 90.2 t -119.81 99.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 35.5 p90 -128.34 168.71 15.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.691 HD11 ' C ' ' A' ' 24' ' ' GLY . 5.5 tt -116.73 131.47 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -87.55 85.72 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 113' ' ' ALA . 30.5 t-20 -103.99 123.96 48.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.73 ' O ' HG22 ' A' ' 114' ' ' VAL . 12.6 pt-20 -59.63 -40.86 88.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.77 -22.04 66.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -49.74 -56.33 10.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 111' ' ' GLU . 34.6 m -43.12 -37.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -70.87 -32.57 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' ALA . 93.0 mm-40 -75.2 -65.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.524 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -42.1 128.33 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.92 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.965 0.412 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.5 p -83.91 144.29 29.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -64.21 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -41.79 -40.43 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -74.45 -36.52 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.39 -49.11 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.643 ' HA ' HD22 ' A' ' 26' ' ' LEU . 22.2 ptt180 -64.08 -41.32 97.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -73.44 -27.5 61.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -73.02 -39.52 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.552 ' CE1' HD22 ' A' ' 77' ' ' LEU . 78.6 m-85 -105.58 13.15 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.68 -21.13 66.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.62 -27.11 61.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.555 ' HB3' HD13 ' A' ' 108' ' ' ILE . 27.1 mt -54.18 152.03 11.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -49.83 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.315 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.719 ' O ' HD11 ' A' ' 108' ' ' ILE . . . -69.17 -177.82 17.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -104.66 132.95 50.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' ' 16' ' ' ARG . 6.1 tp -67.5 131.36 45.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -132.81 95.21 3.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.575 HG21 ' HE3' ' A' ' 104' ' ' LYS . 37.6 mt -91.59 109.07 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.885 HD11 ' HG3' ' A' ' 70' ' ' MET . 29.5 pt -123.77 139.38 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -91.36 120.6 32.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.481 HD12 ' CD1' ' A' ' 105' ' ' LEU . 58.4 mt -117.5 131.69 56.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.43 120.64 33.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' HD3' HG22 ' A' ' 96' ' ' ILE . 14.6 mtmt -48.33 113.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -71.59 179.17 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -42.22 -28.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 1.7 t-20 -111.88 -14.87 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 97.32 169.31 33.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.733 HD13 HD11 ' A' ' 105' ' ' LEU . 11.9 mt -48.41 121.35 4.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.407 ' C ' ' HG ' ' A' ' 40' ' ' LEU . . . -110.6 113.21 3.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.495 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.6 mt -148.83 138.94 22.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.809 0.337 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -88.47 101.81 14.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 mt -89.73 153.86 20.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.93 122.69 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -56.72 138.31 47.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.523 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' GLY . 28.8 t-20 -34.87 149.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.719 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 61.2 mttm -46.74 -42.51 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.54 121.87 30.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -56.5 -48.33 77.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.1 m -48.17 -28.78 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 -73.4 155.09 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 tpt -135.0 93.28 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.6 162.41 32.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.0 mt -113.09 133.86 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.533 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 67.1 m-85 -132.08 163.24 28.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.2 t -109.25 106.47 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.867 HG11 ' O ' ' A' ' 118' ' ' ALA . 14.1 m -100.96 5.41 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.26 149.77 11.52 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.419 HG13 ' CD1' ' A' ' 72' ' ' ILE . 81.4 mt -132.43 103.63 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -44.65 121.45 4.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.601 0.715 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -11.44 30.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -100.45 -17.2 17.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.7 175.62 54.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -38.14 8.32 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.495 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -51.64 -32.59 29.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.42 -35.1 58.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.05 93.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -62.76 -52.47 63.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.26 -15.65 57.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -40.51 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.885 ' HG3' HD11 ' A' ' 29' ' ' ILE . 5.5 mtp -72.03 136.36 46.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -132.93 171.04 14.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.419 ' CD1' HG13 ' A' ' 58' ' ' ILE . 5.9 mm -74.42 120.2 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.7 -16.54 6.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.541 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.3 m-20 -54.12 153.66 4.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.75 0.309 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -126.0 95.5 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.8 mt -51.05 128.21 21.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' A' ' 19' ' ' TYR . 12.2 mt -109.03 -44.12 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -146.61 154.73 41.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.543 HG12 HD23 ' A' ' 105' ' ' LEU . 89.1 mt -150.86 143.07 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.462 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 15.7 t-20 35.1 50.03 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m120 58.04 54.27 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -156.9 105.24 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.87 129.18 28.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 79' ' ' ILE . 9.1 mt -97.43 -30.67 12.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' LEU . 48.2 t80 -36.12 100.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.98 26.55 4.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -135.83 -176.19 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -101.71 142.93 32.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -50.01 -27.03 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -61.91 -33.18 73.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -68.8 -54.37 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -37.94 -57.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.4 t -51.77 -42.14 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.42 94.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.496 HD12 ' CD2' ' A' ' 84' ' ' LEU . 92.7 mt -59.73 -42.69 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.438 HG22 ' HD3' ' A' ' 33' ' ' LYS . 66.5 mt -64.57 -45.41 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.16 -44.81 68.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.9 p -73.86 -26.49 60.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.21 153.57 94.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.462 ' HD2' ' ND2' ' A' ' 80' ' ' ASN . 54.2 Cg_endo -69.79 171.49 14.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 m -40.66 -59.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -81.63 113.43 19.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.3 t -122.32 148.76 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.575 ' HE3' HG21 ' A' ' 28' ' ' ILE . 79.4 tttt -103.25 130.78 50.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.733 HD11 HD13 ' A' ' 38' ' ' LEU . 9.8 mt -120.58 120.08 34.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.528 HG22 HG12 ' A' ' 28' ' ' ILE . 96.1 t -112.13 102.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.556 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 31.2 p90 -128.94 172.99 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.719 HD11 ' O ' ' A' ' 24' ' ' GLY . 8.0 tt -120.47 134.76 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -92.7 83.39 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -102.18 113.8 27.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.76 ' O ' HG22 ' A' ' 114' ' ' VAL . 16.5 pt-20 -52.61 -33.56 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -26.57 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -49.91 -53.64 24.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.4 m -41.9 -29.18 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -84.36 -43.09 15.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -68.1 -61.24 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.533 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 13.3 ptt? -46.64 152.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.867 ' O ' HG11 ' A' ' 56' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.936 0.398 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' ASP . 23.8 p -81.36 138.29 35.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.8 t70 -37.5 -62.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' ASP . 15.6 pt20 -38.13 -40.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -79.8 -36.84 36.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.707 HG21 HG11 ' A' ' 106' ' ' VAL . 77.6 mt -62.98 -49.72 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.749 ' HA ' HD22 ' A' ' 26' ' ' LEU . 12.1 ptt85 -59.84 -43.62 94.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -73.57 -27.91 61.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -71.73 -42.77 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -104.49 17.97 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -66.56 -21.41 66.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -68.21 -31.81 71.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HB3' HD13 ' A' ' 108' ' ' ILE . 33.8 mt -50.58 151.67 3.89 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.722 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.254 . . . . 0.0 112.329 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.76 -157.06 0.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.531 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -127.98 130.27 48.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.749 HD22 ' HA ' ' A' ' 16' ' ' ARG . 6.1 tp -66.58 129.23 39.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -133.73 102.5 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.745 HG21 ' HE3' ' A' ' 104' ' ' LYS . 33.7 mt -94.9 111.05 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.859 HD12 HD21 ' A' ' 31' ' ' LEU . 29.3 pt -121.19 143.64 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -98.91 116.98 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.859 HD21 HD12 ' A' ' 29' ' ' ILE . 16.8 mt -118.39 123.01 44.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' LYS . 8.6 tt0 -83.37 111.14 18.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' GLU . 6.1 mtmp? -35.05 122.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.5 t70 -80.23 178.37 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.8 mtpt -36.49 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' ASP . 6.5 m-80 -108.81 -36.01 6.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.0 -171.99 18.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.698 HD23 ' HG3' ' A' ' 63' ' ' PRO . 14.6 mt -69.35 85.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.55 106.75 2.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.6 mt -144.78 133.88 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -83.31 115.19 21.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.62 144.17 33.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.94 118.99 6.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -45.27 160.14 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.1 t-20 -59.98 144.96 47.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 44.8 mttm -37.0 -49.42 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -85.4 108.76 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 49' ' ' SER . 7.4 tpt180 -46.46 -53.01 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' ARG . 17.5 m -37.3 -38.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -80.95 143.68 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.7 tpt -117.56 95.09 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -148.73 145.49 27.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.491 HD13 ' HB2' ' A' ' 92' ' ' ALA . 45.0 mt -101.96 139.82 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.54 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 79.9 m-85 -136.4 176.27 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.545 HG21 ' CE ' ' A' ' 70' ' ' MET . 84.5 t -120.32 105.96 17.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.601 ' HA ' ' HE3' ' A' ' 117' ' ' MET . 5.2 m -102.81 9.44 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.39 153.79 17.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.4 mt -134.68 97.62 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.352 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -43.48 122.2 3.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.714 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.49 18.75 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.731 2.287 . . . . 0.0 112.309 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -101.28 -15.65 17.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.36 179.55 52.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.538 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.698 ' HG3' HD23 ' A' ' 38' ' ' LEU . 54.2 Cg_endo -69.8 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.38 -36.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.37 -39.94 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.13 -47.44 77.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -61.01 -41.37 96.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.85 41.83 27.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -117.08 -60.05 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.711 ' HG3' HD11 ' A' ' 29' ' ' ILE . 8.4 mtp -57.54 151.39 16.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -139.26 176.47 8.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.2 mm -81.64 118.6 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.59 -21.24 6.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -53.23 158.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.501 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 33.8 tt0 -130.29 98.27 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.722 HD13 HD11 ' A' ' 79' ' ' ILE . 95.1 mt -51.74 131.36 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.2 mt -113.08 -40.42 3.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -147.34 150.59 35.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.722 HD11 HD13 ' A' ' 76' ' ' LEU . 41.1 mt -149.83 131.36 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 49.3 38.59 14.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 67.58 49.93 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.479 ' NE2' HG23 ' A' ' 95' ' ' ILE . 38.0 mt-30 -150.89 105.27 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.3 mt -64.23 125.7 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' GLY . 11.9 mt -94.39 -26.06 16.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -40.14 94.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 114.69 30.1 2.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -140.7 174.45 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.6 p -92.49 141.8 28.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.471 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 22.3 p80 -48.03 -41.27 25.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.471 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 80.0 mt-30 -51.33 -36.93 45.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -68.71 -47.86 65.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.491 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -43.35 -55.12 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -52.46 -41.03 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.92 87.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.479 HG23 ' NE2' ' A' ' 82' ' ' GLN . 82.7 mt -58.66 -43.06 86.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.422 HD13 HD12 ' A' ' 38' ' ' LEU . 86.0 mt -63.79 -44.51 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -53.53 -43.77 68.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.1 p -75.07 -27.18 59.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.14 150.94 97.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.8 Cg_endo -69.74 168.6 21.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 100' ' ' PRO . 2.1 m -34.89 -59.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -82.64 119.05 23.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.0 t -127.03 133.5 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.745 ' HE3' HG21 ' A' ' 28' ' ' ILE . 14.1 tttp -87.29 119.96 28.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.808 ' CD1' HD12 ' A' ' 31' ' ' LEU . 6.6 mt -109.38 121.6 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.707 HG11 HG21 ' A' ' 15' ' ' ILE . 89.3 t -114.01 103.56 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 33.5 p90 -130.64 179.67 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.457 HD13 ' HB3' ' A' ' 22' ' ' LEU . 10.1 tt -123.56 133.56 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 tpp85 -90.91 89.43 7.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 112' ' ' ASP . 24.8 t-20 -115.47 107.41 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.895 ' O ' HG22 ' A' ' 114' ' ' VAL . 14.3 pt-20 -51.31 -39.0 55.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 30.8 t0 -62.15 -28.37 69.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.46 -43.77 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.895 HG22 ' O ' ' A' ' 111' ' ' GLU . 35.0 m -41.92 -34.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -82.71 -41.79 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -61.37 -63.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.601 ' HE3' ' HA ' ' A' ' 56' ' ' VAL . 22.6 ptt? -48.9 145.89 3.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.6 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.55 ' O ' HD11 ' A' ' 15' ' ' ILE . 94.5 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.963 0.411 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' ASP . 20.9 p -72.78 135.96 45.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -34.33 -49.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -52.11 -50.65 61.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -70.34 -30.65 67.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.826 HG22 HD21 ' A' ' 26' ' ' LEU . 73.0 mt -65.13 -47.27 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.781 ' HA ' HD22 ' A' ' 26' ' ' LEU . 6.5 ptm180 -68.37 -36.62 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -76.63 -28.52 56.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -68.87 -45.0 72.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.595 ' HB2' HD13 ' A' ' 26' ' ' LEU . 98.5 m-85 -103.53 16.91 25.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.99 -18.17 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -73.25 -27.77 61.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.433 ' HB3' HD13 ' A' ' 108' ' ' ILE . 30.3 mt -56.29 151.62 26.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.553 0.692 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -49.65 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.55 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -65.87 -173.64 4.81 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -108.27 119.27 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.826 HD21 HG22 ' A' ' 15' ' ' ILE . 5.1 tp -60.63 128.43 36.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -127.01 109.71 12.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.31 99.6 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.821 HD11 ' HG3' ' A' ' 70' ' ' MET . 23.5 pt -116.11 138.88 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -100.56 118.01 35.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.61 HD13 ' HA ' ' A' ' 64' ' ' ALA . 33.3 mt -114.75 125.91 54.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -81.75 110.29 16.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.626 ' NZ ' HG21 ' A' ' 103' ' ' VAL . 16.2 mtmm -45.66 129.36 8.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 35' ' ' LYS . 23.4 t0 -89.78 175.75 7.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -34.23 -40.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -93.01 -40.98 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.09 178.41 15.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.614 HD13 HD11 ' A' ' 105' ' ' LEU . 28.7 mt -43.29 -49.54 6.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.57 86.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.3 mt -135.97 139.45 43.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.411 ' HB2' ' CA ' ' A' ' 57' ' ' GLY . 52.0 m -84.23 116.22 22.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.2 mt -106.88 153.55 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.88 112.18 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -44.0 133.61 6.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.5 t-20 -34.45 137.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 11.6 mtpp -33.68 -52.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' HB3' ' CG ' ' A' ' 50' ' ' ARG . 7.7 t0 -75.68 127.07 32.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -59.47 -45.42 91.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -64.04 -16.66 62.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' CG ' ' HB3' ' A' ' 47' ' ' ASP . 8.3 mmt180 -86.15 97.17 10.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.2 tpp -78.73 100.06 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 p -166.43 151.63 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 89' ' ' HIS . 66.3 mt -109.92 135.26 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 66.9 m-85 -125.87 165.6 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.446 HG21 ' CE ' ' A' ' 70' ' ' MET . 87.5 t -105.17 104.86 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.472 HG12 ' SD ' ' A' ' 117' ' ' MET . 9.2 m -104.42 20.62 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 41' ' ' SER . . . 170.27 151.99 7.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -135.66 110.54 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -46.72 122.26 7.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.723 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.5 18.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.384 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -104.95 -21.58 13.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.45 175.7 52.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.443 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -35.94 11.86 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.61 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -52.64 -30.54 32.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.49 -35.7 19.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.52 -53.32 36.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -55.73 -34.76 65.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.85 42.24 79.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB2' HD12 ' A' ' 29' ' ' ILE . 2.9 mmp_? -117.81 -58.18 2.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.821 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.2 mtp -61.71 149.2 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -138.93 174.99 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.442 HG23 ' HA ' ' A' ' 56' ' ' VAL . 5.1 mm -81.12 120.64 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . 125.01 -19.83 6.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.447 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.553 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 69.3 m-20 -59.45 130.68 48.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.777 0.322 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 43.1 tt0 -98.37 92.65 5.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.609 HD13 HD11 ' A' ' 79' ' ' ILE . 75.9 mt -44.1 136.36 3.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.454 HD13 ' CG ' ' A' ' 19' ' ' TYR . 19.7 mt -119.38 -34.84 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -151.86 153.32 33.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.609 HD11 HD13 ' A' ' 76' ' ' LEU . 52.3 mt -152.08 129.63 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.576 ' HB2' HG13 ' A' ' 103' ' ' VAL . 16.3 t-20 49.59 32.52 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 74.81 44.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -144.06 105.4 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 39.1 mt -64.44 123.79 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 79' ' ' ILE . 14.9 mt -93.87 -26.83 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -41.95 94.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 119.45 13.42 6.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.2 mtt-85 -131.44 162.07 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.906 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.9 t -80.51 154.4 27.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 27.4 p80 -54.42 -42.22 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -49.41 -41.89 40.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -63.24 -48.3 78.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.413 ' HA ' HD12 ' A' ' 95' ' ' ILE . . . -44.97 -58.4 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.068 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.4 p -47.05 -47.03 22.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.69 -45.88 63.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 92' ' ' ALA . 56.7 mt -57.35 -45.94 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.476 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 95.4 mt -61.54 -47.02 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -52.63 -36.61 56.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.1 p -87.9 -23.08 24.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.04 148.97 96.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.544 0.688 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 178.47 4.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 m -50.19 -63.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -73.69 107.99 6.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.626 HG21 ' NZ ' ' A' ' 33' ' ' LYS . 17.3 t -123.47 144.56 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.435 ' HD3' ' CG2' ' A' ' 106' ' ' VAL . 5.4 ttmt -98.46 120.56 39.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 38' ' ' LEU . 10.3 mt -106.48 99.86 9.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 104' ' ' LYS . 60.5 t -92.14 108.47 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.553 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 53.1 p90 -135.33 -176.3 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.55 HD11 ' C ' ' A' ' 24' ' ' GLY . 5.9 tt -122.79 135.8 61.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 -95.45 111.58 23.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 111' ' ' GLU . 55.8 t-20 -145.31 147.79 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.717 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.9 pt-20 -84.0 -29.89 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.08 -22.58 59.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.0 65.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 111' ' ' GLU . 31.0 m -51.49 -22.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -88.33 -23.13 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -91.48 -30.16 16.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.539 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -75.87 141.67 42.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.915 0.388 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 p -75.64 144.42 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.189 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.44 -57.15 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -45.63 -35.33 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -81.01 -36.13 31.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.484 HG22 HD21 ' A' ' 26' ' ' LEU . 77.7 mt -64.18 -45.77 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.673 ' HA ' HD22 ' A' ' 26' ' ' LEU . 24.4 ptt180 -67.54 -42.32 82.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -71.4 -31.18 66.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -70.03 -41.54 74.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.496 ' CE1' HD22 ' A' ' 77' ' ' LEU . 93.8 m-85 -104.17 14.82 29.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -65.9 -20.88 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.82 -32.63 69.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.424 ' HB3' HD13 ' A' ' 108' ' ' ILE . 32.5 mt -50.84 149.55 6.12 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.452 ' HG2' ' ND2' ' A' ' 110' ' ' ASN . 53.6 Cg_endo -69.74 -49.92 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.39 -162.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -121.9 125.0 45.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.673 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.2 tp -62.33 125.99 25.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -128.08 101.88 6.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.512 HG12 HG22 ' A' ' 106' ' ' VAL . 53.4 mt -97.04 110.29 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.475 ' HB ' ' CZ ' ' A' ' 69' ' ' ARG . 11.5 pt -130.27 148.25 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.85 ' O ' HD23 ' A' ' 31' ' ' LEU . 13.9 mp0 -104.07 146.19 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.85 HD23 ' O ' ' A' ' 30' ' ' GLU . 23.0 mt -141.62 120.97 13.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -73.13 111.37 8.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -40.23 123.61 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.3 t0 -80.75 178.57 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -37.53 -28.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' ASP . 10.4 m120 -113.93 -20.2 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 105.95 -166.78 14.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.428 HD23 ' HG3' ' A' ' 63' ' ' PRO . 9.5 mt -68.98 107.98 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.92 108.35 3.66 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.421 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 58' ' ' ILE . 15.7 mt -148.11 137.34 22.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -88.0 108.56 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 mt -96.16 152.72 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.85 127.15 9.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.52 159.98 3.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -65.34 135.39 55.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 116' ' ' GLN . 14.5 mtpp -39.56 -43.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -87.56 108.5 19.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' SER . 11.2 ttm-85 -47.61 -57.24 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' ARG . 17.6 m -36.44 -37.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -85.9 154.86 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.7 tpp -131.15 101.71 5.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -148.78 150.77 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.434 HD13 ' HB2' ' A' ' 92' ' ' ALA . 30.3 mt -111.8 127.78 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.478 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 70.8 m-85 -121.08 174.51 6.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.603 HG21 ' CE ' ' A' ' 70' ' ' MET . 98.9 t -117.66 95.04 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.678 HG12 ' SD ' ' A' ' 117' ' ' MET . 10.1 m -94.56 23.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.75 147.82 6.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.468 HG12 ' CD2' ' A' ' 40' ' ' LEU . 92.3 mt -131.54 101.26 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -44.02 122.11 3.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.99 36.92 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.692 2.261 . . . . 0.0 112.38 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -93.15 -23.93 18.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.99 179.57 49.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.8 Cg_endo -69.76 -47.51 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.517 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -42.21 -32.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.93 -36.18 23.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.2 -53.48 48.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -56.8 -39.92 75.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.59 41.66 28.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.475 ' CZ ' ' HB ' ' A' ' 29' ' ' ILE . 24.0 mtm180 -118.98 -63.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.603 ' CE ' HG21 ' A' ' 55' ' ' VAL . 3.7 mtp -50.43 140.42 13.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -131.29 171.31 13.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.435 HG23 ' HA ' ' A' ' 56' ' ' VAL . 7.2 mm -76.17 128.68 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.5 -23.66 10.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.486 ' OD1' ' CE1' ' A' ' 107' ' ' PHE . 46.2 m-20 -53.74 136.59 39.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.424 ' OE2' ' CE1' ' A' ' 54' ' ' PHE . 40.7 tt0 -107.88 103.11 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.2 mt -56.12 139.31 47.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 19' ' ' TYR . 15.2 mt -122.58 -39.06 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -146.68 150.08 34.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.601 HG12 HD23 ' A' ' 105' ' ' LEU . 60.7 mt -149.96 113.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 64.75 46.01 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 62.16 43.88 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -144.81 117.84 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.19 126.84 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.52 ' CD2' HD12 ' A' ' 95' ' ' ILE . 10.7 mt -98.99 -24.92 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -40.81 99.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.26 31.33 3.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -144.39 154.17 42.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 t -70.97 139.78 50.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.558 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 20.0 p80 -41.06 -50.38 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.558 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 48.9 mt-30 -42.84 -42.15 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 6.5 m120 -58.42 -55.56 33.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.434 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -40.87 -59.61 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.0 t -47.79 -45.96 29.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -51.55 -50.15 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.52 HD12 ' CD2' ' A' ' 84' ' ' LEU . 67.6 mt -55.44 -39.91 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.23 -46.38 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -51.54 -45.39 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.0 p -77.5 -19.14 56.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.97 152.48 92.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.075 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 101' ' ' SER . 54.0 Cg_endo -69.78 166.7 26.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' PRO . 66.5 m -35.11 -57.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -82.06 122.04 27.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.1 t -129.14 128.84 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -84.92 120.92 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.601 HD23 HG12 ' A' ' 79' ' ' ILE . 7.1 mt -107.97 123.59 48.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.512 HG22 HG12 ' A' ' 28' ' ' ILE . 92.3 t -115.02 102.82 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 23.6 p90 -130.14 171.11 13.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.424 HD13 ' HB3' ' A' ' 22' ' ' LEU . 11.9 tt -116.67 138.26 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -95.35 94.81 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' ' 23' ' ' PRO . 59.7 t-20 -119.75 123.56 44.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 114' ' ' VAL . 3.2 tp10 -65.38 -11.23 40.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -96.23 -18.68 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -70.43 -18.19 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.3 m -73.32 -15.54 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -104.51 -19.48 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.452 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 75.0 mt-30 -79.52 -33.32 42.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.678 ' SD ' HG12 ' A' ' 56' ' ' VAL . 22.9 ptt? -72.59 125.99 28.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.894 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.43 ' O ' HD11 ' A' ' 15' ' ' ILE . 97.2 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.923 0.392 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' ASP . 33.1 p -60.49 135.26 57.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.471 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -34.85 -62.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -40.32 -47.8 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -68.67 -33.28 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 12' ' ' ASP . 93.8 mt -66.52 -52.02 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.806 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 13.5 ptm180 -61.95 -29.78 70.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.12 -33.34 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttm-85 -66.45 -45.89 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.679 ' CE1' HD22 ' A' ' 77' ' ' LEU . 85.0 m-85 -99.13 14.08 30.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -68.88 -7.36 33.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -86.6 -19.61 29.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.42 151.53 91.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.359 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.624 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -60.99 -169.81 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.22 132.34 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.627 HD22 ' HA ' ' A' ' 16' ' ' ARG . 5.0 tp -75.42 129.89 38.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -134.19 110.47 9.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.499 HG12 HG22 ' A' ' 106' ' ' VAL . 52.0 mt -100.59 111.53 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.925 HD11 ' HG3' ' A' ' 70' ' ' MET . 18.4 pt -123.07 149.01 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -110.22 111.8 23.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 64' ' ' ALA . 20.7 mt -109.1 129.26 55.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -83.8 112.58 20.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -39.16 132.17 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' GLY . 17.2 t70 -91.1 174.48 7.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 7.0 ttmm -34.25 -39.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -99.52 -27.64 13.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.474 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 124.19 -169.12 16.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.578 HD13 HD11 ' A' ' 105' ' ' LEU . 12.1 mt -55.93 -49.21 74.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.3 88.46 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' CD2' HG12 ' A' ' 58' ' ' ILE . 18.8 mt -142.5 136.55 29.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -83.6 128.59 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -120.33 146.84 45.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.95 120.41 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.21 158.44 3.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -56.61 147.36 22.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' CE ' ' O ' ' A' ' 115' ' ' ASN . 38.5 mttm -37.77 -44.87 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.7 111.63 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' ARG . 44.5 ttt180 -48.48 -54.83 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 48' ' ' ARG . 46.6 m -35.47 -33.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' ARG . 7.5 mtp85 -84.53 134.13 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.5 tpt -104.03 97.22 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 m -153.27 140.03 19.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.2 mt -108.85 134.21 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.508 ' CD2' ' HB3' ' A' ' 117' ' ' MET . 91.0 m-85 -124.75 -176.83 3.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.712 HG21 ' HE1' ' A' ' 70' ' ' MET . 61.2 t -124.24 94.48 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.528 HG12 ' HE3' ' A' ' 117' ' ' MET . 13.3 m -97.66 23.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.19 144.51 5.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.424 HG12 ' CD2' ' A' ' 40' ' ' LEU . 97.2 mt -132.46 103.43 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.113 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 16.2 t30 -39.19 119.0 1.19 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -9.13 25.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -105.21 -8.24 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.23 179.81 46.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.514 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.474 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.5 Cg_endo -69.78 -44.97 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.465 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -49.89 -24.61 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -87.44 -29.82 21.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.2 43.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -31.18 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.02 32.92 85.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -107.81 -54.51 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.925 ' HG3' HD11 ' A' ' 29' ' ' ILE . 8.6 mtp -68.17 138.59 55.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -130.97 169.84 15.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.516 HG23 ' HA ' ' A' ' 56' ' ' VAL . 4.6 mm -74.37 118.36 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.58 -11.27 6.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -65.03 147.44 53.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.73 102.33 9.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.7 mt -56.75 124.54 18.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.679 HD22 ' CE1' ' A' ' 19' ' ' TYR . 34.5 mt -108.34 -38.28 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -151.36 152.69 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.872 HG12 HD23 ' A' ' 105' ' ' LEU . 45.0 mt -150.5 136.75 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' ILE . 10.3 t-20 37.28 47.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.18 53.31 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -155.88 106.92 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.564 HG22 ' H ' ' A' ' 85' ' ' TYR . 55.5 mt -59.17 144.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.584 HD11 HD12 ' A' ' 79' ' ' ILE . 18.9 mt -128.46 9.07 6.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 53.7 t80 -77.82 9.35 3.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.43 21.86 1.07 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -131.93 165.14 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 t -81.71 148.14 29.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -53.33 -21.92 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -67.76 -30.0 69.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -78.63 -35.67 45.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.97 -58.17 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -51.03 -43.18 60.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.35 -49.74 73.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.6 mt -53.89 -42.6 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.94 -47.87 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -53.55 -44.47 69.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 46.0 p -78.26 -14.73 59.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.13 150.7 74.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 172.2 13.06 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.3 m -40.22 -67.44 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -73.8 111.43 8.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.7 t -118.87 132.02 69.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.425 ' HE3' HG21 ' A' ' 28' ' ' ILE . 22.6 tttt -90.77 121.04 32.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.872 HD23 HG12 ' A' ' 79' ' ' ILE . 5.9 mt -113.18 127.33 56.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.499 HG22 HG12 ' A' ' 28' ' ' ILE . 89.9 t -116.06 101.28 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 37.7 p90 -126.51 174.53 8.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.624 HD11 ' C ' ' A' ' 24' ' ' GLY . 4.6 tt -124.86 124.14 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -82.49 133.04 35.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -155.66 121.81 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 114' ' ' VAL . 55.7 tt0 -63.52 -11.3 23.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.19 -21.06 18.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.67 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 111' ' ' GLU . 19.5 m -53.23 -21.73 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.455 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 70.0 m-80 -101.16 -31.92 10.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -59.72 -46.44 89.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.528 ' HE3' HG12 ' A' ' 56' ' ' VAL . 4.6 ptt? -66.49 148.35 52.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.897 0.38 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.3 p -82.76 146.22 29.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.44 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -43.44 -47.86 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -55.63 -38.29 69.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.46 -38.11 55.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.718 HG21 HG11 ' A' ' 106' ' ' VAL . 62.4 mt -61.78 -53.24 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.704 ' HA ' HD22 ' A' ' 26' ' ' LEU . 36.0 ptt180 -60.42 -46.58 89.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 13.8 mt-30 -66.8 -32.52 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HD3' ' CE2' ' A' ' 19' ' ' TYR . 8.7 ttt85 -66.61 -49.02 67.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.483 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 84.7 m-85 -100.06 13.67 33.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -64.24 -14.37 55.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.24 -26.77 42.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.82 151.7 14.93 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.571 0.7 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -49.68 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.43 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -64.32 -176.56 4.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.455 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -107.89 124.4 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.9 tp -62.23 131.81 50.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -134.28 107.35 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.73 HG12 HG22 ' A' ' 106' ' ' VAL . 36.1 mt -100.29 109.29 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.665 HD12 HD21 ' A' ' 31' ' ' LEU . 30.7 pt -120.52 142.48 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -95.66 114.57 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.665 HD21 HD12 ' A' ' 29' ' ' ILE . 76.0 mt -109.41 135.79 49.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -94.96 124.68 39.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HD3' HG22 ' A' ' 96' ' ' ILE . 20.9 mtmt -57.17 111.11 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LYS . 71.0 m-20 -74.32 -178.91 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' ASP . 39.4 tttt -36.94 -38.27 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -104.39 -21.6 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.96 -154.65 16.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.452 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 105' ' ' LEU . 17.7 mt -82.35 105.41 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.12 101.2 2.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.634 HD21 ' HB1' ' A' ' 64' ' ' ALA . 10.1 mt -143.23 136.74 28.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.9 m -94.57 113.59 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -95.39 158.33 15.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.468 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . . . -160.37 122.05 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -53.3 147.23 17.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 37.9 t-20 -50.02 147.43 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.516 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 33.9 mttm -35.88 -45.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -96.96 117.17 30.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -51.07 -51.09 56.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.2 t -43.92 -24.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -91.81 97.87 11.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.3 tpt -75.19 96.24 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -154.16 149.23 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.5 mt -102.07 145.35 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 59.4 m-85 -145.24 155.74 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.464 HG21 ' CE ' ' A' ' 70' ' ' MET . 93.2 t -101.23 106.04 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 43' ' ' ALA . 6.5 m -101.23 9.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.71 146.41 7.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.555 HG12 HD23 ' A' ' 40' ' ' LEU . 98.3 mt -135.71 109.52 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 29.8 t30 -48.0 119.98 7.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -9.34 25.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -106.23 -7.91 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.86 176.54 45.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.429 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -37.29 9.48 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.399 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.634 ' HB1' HD21 ' A' ' 40' ' ' LEU . . . -56.4 -28.71 60.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -87.4 -37.85 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.68 -59.42 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -48.95 -37.92 21.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.53 45.19 60.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.443 ' HB2' HD13 ' A' ' 29' ' ' ILE . 3.9 mmp_? -124.94 -35.95 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 0.0 110.89 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.663 ' HG3' HD11 ' A' ' 29' ' ' ILE . 9.3 mtp -86.42 121.99 29.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.498 ' N ' ' CD ' ' A' ' 71' ' ' ARG . 1.3 mpt_? -108.69 -174.96 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.6 mm -87.52 122.85 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.17 -25.26 6.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -49.01 145.19 4.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.771 0.319 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 33.3 tt0 -114.93 100.78 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.607 HD13 HD11 ' A' ' 79' ' ' ILE . 90.0 mt -53.41 128.66 29.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.441 HD22 ' CE1' ' A' ' 19' ' ' TYR . 13.8 mt -109.94 -41.17 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -140.63 153.55 46.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.607 HD11 HD13 ' A' ' 76' ' ' LEU . 12.0 mt -152.72 116.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.408 ' HB2' HG13 ' A' ' 103' ' ' VAL . 21.3 t-20 56.39 50.26 13.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 59.95 50.38 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -154.54 111.25 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.5 mt -71.56 123.77 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.526 HD11 HG13 ' A' ' 79' ' ' ILE . 11.7 mt -93.16 -22.15 19.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -42.92 92.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 115.6 26.51 3.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.468 ' NH1' HD11 ' A' ' 95' ' ' ILE . 63.2 mtp180 -134.97 176.0 9.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 99.0 p -88.52 137.83 31.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -48.86 -37.13 18.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -55.94 -36.57 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -65.91 -51.59 57.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.24 -55.15 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.1 m -54.19 -37.45 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.6 83.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.468 HD11 ' NH1' ' A' ' 87' ' ' ARG . 98.5 mt -56.46 -38.69 57.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.58 HD13 HD12 ' A' ' 38' ' ' LEU . 96.4 mt -65.95 -46.79 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -52.73 -44.84 66.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.5 p -73.12 -26.44 61.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.61 154.04 93.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.593 0.711 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.7 Cg_endo -69.76 170.49 16.45 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 100' ' ' PRO . 24.0 m -38.34 -64.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.46 117.36 19.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 80' ' ' ASN . 18.5 t -124.83 136.96 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.421 ' HE3' HG21 ' A' ' 28' ' ' ILE . 48.4 tttt -93.6 119.12 32.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.588 HD11 HD13 ' A' ' 38' ' ' LEU . 7.0 mt -110.0 124.23 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.73 HG22 HG12 ' A' ' 28' ' ' ILE . 95.4 t -111.65 101.27 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.591 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 21.9 p90 -125.78 176.12 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.43 HD11 ' C ' ' A' ' 24' ' ' GLY . 6.1 tt -114.46 152.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.4 ttt-85 -109.34 102.42 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -135.41 109.81 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 114' ' ' VAL . 1.1 pm0 -60.46 -15.76 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 88.0 m-20 -83.75 -30.66 26.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.41 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . . . -48.9 -36.43 17.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.077 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 111' ' ' GLU . 25.4 m -41.83 -29.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 116' ' ' GLN . 5.0 p30 -88.22 -38.46 15.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.499 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 37.9 mt-30 -65.81 -35.66 81.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.466 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -76.51 140.53 41.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LYS . 80.6 p -76.84 143.02 40.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.89 -42.66 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -58.04 -38.73 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 11' ' ' THR . 56.4 mmtt -81.23 -32.71 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.676 HG21 HG11 ' A' ' 106' ' ' VAL . 76.3 mt -66.66 -45.8 87.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.752 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 32.5 ptt180 -65.83 -41.46 91.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -72.95 -33.91 66.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -69.07 -40.83 78.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CG ' HD13 ' A' ' 77' ' ' LEU . 73.8 m-85 -104.9 14.12 30.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -67.71 -18.03 64.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -73.05 -29.7 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 24.2 mt -54.69 151.67 14.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.65 0.738 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.6 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.331 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.15 -179.75 6.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -105.76 124.55 49.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.667 HD22 ' HA ' ' A' ' 16' ' ' ARG . 10.9 tp -59.08 133.29 55.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -132.66 102.63 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.559 HG21 ' HE2' ' A' ' 104' ' ' LYS . 39.4 mt -97.96 110.91 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.938 HD11 ' HG3' ' A' ' 70' ' ' MET . 20.7 pt -129.76 138.02 55.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -94.55 115.03 27.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.539 HD12 ' CD1' ' A' ' 105' ' ' LEU . 48.1 mt -111.87 126.62 55.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -81.66 120.36 24.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -46.15 110.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' ASN . 24.0 t70 -67.58 175.18 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' ASP . 77.3 tttt -37.71 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' ASP . 21.0 m-20 -110.94 -24.78 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 110.31 -171.46 14.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 63' ' ' PRO . 11.9 mt -69.35 91.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.31 111.29 3.45 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -146.68 136.44 23.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.0 m -83.44 107.13 15.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.405 HD22 ' CG2' ' A' ' 53' ' ' ILE . 22.4 mt -97.61 135.65 39.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.976 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.32 117.37 11.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.01 135.12 22.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 32.1 t-20 -37.03 150.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 32.2 mttm -40.81 -48.98 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -88.21 127.63 35.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -67.85 -21.97 65.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -71.37 -20.44 62.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -105.83 94.7 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.9 tpt -70.6 105.18 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -150.25 151.27 32.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.405 ' CG2' HD22 ' A' ' 42' ' ' LEU . 60.7 mt -110.74 128.06 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 69.7 m-85 -129.1 159.49 35.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 72' ' ' ILE . 88.7 t -101.92 96.15 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 m -93.17 11.2 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.93 151.72 11.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.416 HG13 ' CD1' ' A' ' 72' ' ' ILE . 85.2 mt -134.79 94.65 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -47.12 124.98 8.73 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.3 Cg_endo -69.84 -5.27 15.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.73 -28.31 16.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.7 -178.85 50.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.451 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.553 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.2 Cg_endo -69.85 -49.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -37.88 -40.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -68.95 -41.05 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -65.14 -38.47 90.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.443 ' OD2' HD12 ' A' ' 29' ' ' ILE . 9.7 t0 -64.75 -44.75 89.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.76 -13.82 22.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -72.5 -49.51 32.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.938 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.1 mtp -65.38 134.85 54.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -130.84 173.85 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.416 ' CD1' HG13 ' A' ' 58' ' ' ILE . 6.1 mm -75.78 119.81 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.459 ' O ' ' HB1' ' A' ' 113' ' ' ALA . . . 129.16 -19.96 5.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.528 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.504 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.7 m-20 -58.4 152.28 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 29.8 tt0 -125.57 105.7 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.726 HD13 HD11 ' A' ' 79' ' ' ILE . 95.4 mt -57.61 129.49 42.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' A' ' 19' ' ' TYR . 16.1 mt -110.41 -39.71 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -146.46 150.25 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.826 HD12 HD11 ' A' ' 84' ' ' LEU . 55.0 mt -147.41 139.38 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 79' ' ' ILE . 18.6 t-20 34.3 49.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 61.04 53.8 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -159.5 110.69 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.3 mt -67.52 131.18 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.826 HD11 HD12 ' A' ' 79' ' ' ILE . 14.2 mt -97.85 -21.32 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -50.89 101.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 124.22 -29.91 4.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -90.68 167.62 12.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.327 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.5 t -86.71 147.64 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -46.18 -36.41 5.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -52.53 -40.19 62.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.528 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 50.7 m-20 -67.54 -49.6 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -42.52 -62.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -47.01 -35.26 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -64.07 -44.75 91.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.59 -43.81 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.56 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -53.8 -43.82 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 49.4 p -76.41 -26.59 55.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.37 149.26 98.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.567 0.699 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.6 Cg_endo -69.79 171.96 13.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' PRO . 63.4 m -38.14 -65.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -76.06 122.4 24.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.4 t -132.28 143.87 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.559 ' HE2' HG21 ' A' ' 28' ' ' ILE . 45.8 tttm -94.92 126.22 40.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.543 HD23 HG12 ' A' ' 79' ' ' ILE . 8.8 mt -115.15 123.87 50.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.676 HG11 HG21 ' A' ' 15' ' ' ILE . 90.8 t -116.25 99.82 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.517 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 10.8 p90 -124.48 174.62 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 22' ' ' LEU . 5.8 tt -116.46 150.84 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 ttt-85 -110.25 103.09 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -130.15 135.66 48.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.7 pt-20 -72.93 -15.83 61.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.83 -26.12 24.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . -49.59 -49.25 47.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.5 m -49.41 -27.44 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -88.6 -36.87 16.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -68.25 -57.61 5.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.519 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 21.7 ptt? -51.22 138.94 19.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.914 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.4 p -79.16 143.44 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.73 -55.66 2.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -52.56 -39.7 61.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -73.92 -31.78 63.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.546 ' CG2' HG11 ' A' ' 106' ' ' VAL . 85.3 mt -71.46 -51.85 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.776 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 7.5 ptm180 -63.98 -29.82 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -83.4 -29.94 27.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.1 ttm-85 -68.7 -46.16 69.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.565 ' CG ' HD13 ' A' ' 77' ' ' LEU . 80.4 m-85 -99.41 12.53 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -65.55 -7.76 16.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.39 -19.36 25.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.84 148.8 86.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -49.75 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.582 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -59.21 -177.7 1.07 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -103.98 121.84 43.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.595 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.2 tp -70.7 124.49 24.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -127.71 106.99 9.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.534 HG12 HG22 ' A' ' 106' ' ' VAL . 67.3 mt -97.88 109.92 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.887 HD11 ' HG3' ' A' ' 70' ' ' MET . 16.6 pt -121.27 150.7 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -107.34 116.51 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.794 HD21 HD12 ' A' ' 29' ' ' ILE . 40.5 mt -115.2 127.01 55.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' LYS . 8.2 tt0 -85.65 111.64 20.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' GLU . 15.1 mtmt -37.14 130.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' LYS . 10.9 t70 -91.88 -179.97 5.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' ASP . 14.4 tmtt? -34.39 -44.76 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -97.78 -35.3 10.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.58 -167.28 18.0 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.523 HD23 ' HG3' ' A' ' 63' ' ' PRO . 28.4 mt -70.86 70.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.77 95.06 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 64' ' ' ALA . 11.4 mt -134.95 140.59 45.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.6 m -92.34 114.48 27.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 mt -102.98 149.53 24.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -151.17 115.76 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -50.4 149.0 6.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' LYS . 31.1 t-20 -47.18 135.09 10.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.811 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 27.8 mttp -34.66 -38.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.58 105.23 17.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -48.77 -38.53 22.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 t -50.31 -32.01 15.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -87.55 152.99 21.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.1 tpt -118.85 95.55 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -154.98 147.13 23.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.463 HD13 ' HB2' ' A' ' 92' ' ' ALA . 19.4 mt -112.98 140.7 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 80.2 m-85 -132.7 -178.41 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.0 t -121.6 93.35 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.5 m -87.44 13.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.68 151.08 8.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 72' ' ' ILE . 91.5 mt -134.35 98.84 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 4.0 t-20 -39.27 122.72 1.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -10.21 28.04 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -103.59 -8.22 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.39 179.11 46.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.523 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.6 Cg_endo -69.7 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.503 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -44.59 -43.33 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -65.32 -41.51 93.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.67 -34.39 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 6.9 t0 -68.51 -45.76 71.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.66 -20.87 12.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.883 ' HB2' HD13 ' A' ' 29' ' ' ILE . 17.7 mmm180 -60.54 -43.06 97.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.887 ' HG3' HD11 ' A' ' 29' ' ' ILE . 8.9 mtp -79.3 139.99 37.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -135.29 173.47 11.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.508 ' N ' HD13 ' A' ' 72' ' ' ILE . 3.7 mm -76.33 115.99 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 124.15 -7.55 8.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.544 ' OD2' ' CE1' ' A' ' 107' ' ' PHE . 86.7 m-20 -73.84 129.99 39.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.776 0.322 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 14.7 tt0 -97.45 110.35 22.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.44 HD13 HD11 ' A' ' 79' ' ' ILE . 50.7 mt -64.14 122.21 16.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.565 HD13 ' CG ' ' A' ' 19' ' ' TYR . 14.5 mt -100.83 -46.44 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -137.73 152.04 48.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.605 HG12 HD23 ' A' ' 105' ' ' LEU . 52.4 mt -154.24 109.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 62.85 48.38 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 61.65 43.52 9.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -144.47 120.14 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.493 ' O ' HD23 ' A' ' 84' ' ' LEU . 61.9 mt -70.81 144.13 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 83' ' ' ILE . 12.1 mt -130.87 3.97 4.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.595 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 44.2 t80 -76.76 7.82 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.62 18.6 1.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -128.08 174.54 9.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.5 t -89.08 157.84 18.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -62.91 -23.95 67.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -66.0 -23.85 66.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -84.71 -41.59 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -46.99 -54.41 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t -56.42 -39.72 73.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.08 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.73 -46.04 95.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.453 HD13 HD12 ' A' ' 38' ' ' LEU . 97.6 mt -60.33 -47.15 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -52.74 -46.73 67.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.9 p -73.07 -21.7 60.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.27 152.41 92.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 172.11 13.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.6 m -42.33 -63.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -77.77 112.27 14.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.1 t -116.64 150.27 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -107.96 111.66 23.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.605 HD23 HG12 ' A' ' 79' ' ' ILE . 6.7 mt -102.51 129.84 49.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.546 HG11 ' CG2' ' A' ' 15' ' ' ILE . 97.8 t -120.24 100.54 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 36.4 p90 -122.87 177.78 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.582 HD11 ' C ' ' A' ' 24' ' ' GLY . 7.8 tt -129.51 125.45 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -85.7 123.06 30.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -151.47 133.4 15.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.35 -10.86 59.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -95.32 -16.52 22.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.73 -35.35 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.5 m -59.92 -24.35 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -87.05 -35.87 18.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -73.26 -42.88 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.527 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -59.12 128.42 37.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.811 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.908 0.385 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 14.6 p -67.92 133.26 48.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.545 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -36.15 -57.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -49.24 -39.96 32.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' THR . 10.4 mmtm -75.64 -32.38 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.631 HG21 HG11 ' A' ' 106' ' ' VAL . 79.7 mt -65.05 -48.28 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.859 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.5 ptp180 -63.38 -48.6 77.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.6 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 -67.74 -45.0 76.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -100.64 17.63 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.97 -19.96 65.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.31 -29.69 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 108' ' ' ILE . 28.6 mt -53.6 150.14 13.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.43 ' HG2' ' ND2' ' A' ' 110' ' ' ASN . 54.1 Cg_endo -69.74 -49.3 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 0.0 112.367 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.491 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -64.93 -173.31 3.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -109.35 127.56 54.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.859 HD22 ' HA ' ' A' ' 16' ' ' ARG . 4.7 tp -68.32 133.08 48.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -134.32 108.05 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.467 HG21 ' HE3' ' A' ' 104' ' ' LYS . 72.1 mt -100.52 109.96 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.852 HD11 ' HG3' ' A' ' 70' ' ' MET . 21.6 pt -122.34 146.38 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -100.93 114.08 27.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.842 HD21 HD12 ' A' ' 29' ' ' ILE . 49.8 mt -115.41 133.95 55.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -95.74 116.76 29.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -40.88 127.99 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.9 t70 -87.01 177.17 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -34.63 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' ASP . 10.3 m-80 -108.81 -23.66 11.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 107.92 -177.25 21.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.543 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 105' ' ' LEU . 21.8 mt -59.71 109.93 1.03 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -100.26 105.48 2.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.416 HD21 ' CB ' ' A' ' 64' ' ' ALA . 7.0 mt -143.57 133.61 24.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.5 m -83.98 105.86 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.5 mt -92.32 152.57 19.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.53 123.44 5.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.91 153.41 6.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 27.9 t-20 -53.84 153.88 4.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.933 0.397 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 4.7 mtpm? -37.43 -34.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -105.91 147.65 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -5.54 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -85.86 -25.95 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -95.63 94.08 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.817 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.93 97.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -148.33 151.89 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.6 mt -115.83 134.95 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.482 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 66.6 m-85 -130.12 173.53 10.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.5 t -118.57 94.81 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.743 HG12 ' SD ' ' A' ' 117' ' ' MET . 17.5 m -93.86 20.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.45 150.73 8.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.4 mt -133.23 102.86 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 111.137 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.571 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 16.2 t-20 -41.68 118.61 1.91 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.736 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -11.19 30.33 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.395 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -104.37 -8.69 19.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.26 -179.43 46.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.8 Cg_endo -69.77 -49.25 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.416 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -43.99 -43.04 6.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -64.09 -42.47 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.92 89.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.405 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 8.9 t70 -65.32 -49.36 69.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.51 -23.86 11.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.76 ' HB2' HD13 ' A' ' 29' ' ' ILE . 16.5 mmm180 -57.08 -45.68 83.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.852 ' HG3' HD11 ' A' ' 29' ' ' ILE . 9.5 mtp -71.87 146.0 48.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.414 ' HE ' ' CZ ' ' A' ' 109' ' ' ARG . 20.0 mtm180 -143.49 166.24 25.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 72' ' ' ILE . 5.5 mm -68.94 118.29 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.09 -21.39 5.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.591 ' CG ' ' CE1' ' A' ' 107' ' ' PHE . 85.2 m-20 -54.73 153.93 5.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -125.96 98.1 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.801 HD13 HD11 ' A' ' 79' ' ' ILE . 89.3 mt -51.35 123.63 10.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 mt -105.06 -43.81 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -143.97 152.33 40.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.801 HD11 HD13 ' A' ' 76' ' ' LEU . 81.5 mt -150.58 124.6 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 51.93 47.07 25.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.3 m120 60.95 53.66 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -156.29 107.66 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.2 mt -68.49 133.05 32.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 79' ' ' ILE . 11.9 mt -104.03 -21.05 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -44.89 94.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 118.46 11.46 7.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.488 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -124.82 173.6 8.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.819 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 76.8 p -86.94 153.5 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -59.09 -39.48 82.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -53.63 -34.04 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.499 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 84.4 m-20 -69.28 -42.78 75.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.03 -63.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.1 p -44.91 -40.0 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -56.69 -50.52 71.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.072 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.485 HD12 ' CD2' ' A' ' 84' ' ' LEU . 75.1 mt -56.19 -39.86 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 88.3 mt -65.22 -46.2 91.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -52.05 -46.39 65.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -73.71 -28.33 61.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.82 151.35 96.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.54 0.686 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.7 Cg_endo -69.8 171.31 14.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.649 2.233 . . . . 0.0 112.359 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 100' ' ' PRO . 39.6 m -36.68 -64.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -77.0 119.02 20.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 32.2 t -127.46 129.23 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HE3' HG21 ' A' ' 28' ' ' ILE . 21.5 tttp -80.62 124.94 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 38' ' ' LEU . 9.9 mt -116.45 115.11 25.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.631 HG11 HG21 ' A' ' 15' ' ' ILE . 76.3 t -108.96 103.15 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.591 ' CE1' ' CG ' ' A' ' 74' ' ' ASP . 42.8 p90 -125.67 179.93 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.491 HD11 ' C ' ' A' ' 24' ' ' GLY . 7.8 tt -127.96 120.85 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.414 ' CZ ' ' HE ' ' A' ' 71' ' ' ARG . 7.6 tpp85 -80.69 94.65 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.433 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 61.4 t-20 -115.27 122.53 46.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.7 tp10 -64.51 -15.32 60.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -94.06 -12.08 29.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.433 ' HB2' ' HB3' ' A' ' 110' ' ' ASN . . . -72.5 -27.64 62.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 111' ' ' GLU . 19.7 m -53.26 -34.37 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -90.7 -45.55 8.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -46.8 -29.14 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.743 ' SD ' HG12 ' A' ' 56' ' ' VAL . 17.9 ptt? -87.42 122.6 31.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 117' ' ' MET . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.893 0.378 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' ASP . 20.6 p -79.53 137.56 37.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.464 ' OD1' HD12 ' A' ' 28' ' ' ILE . 10.0 t70 -36.41 -61.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' ASP . 7.6 pt20 -37.67 -45.4 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -75.98 -34.91 59.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.644 HG21 HG11 ' A' ' 106' ' ' VAL . 86.5 mt -62.74 -50.46 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.744 ' HA ' HD22 ' A' ' 26' ' ' LEU . 2.4 ptm85 -61.45 -39.17 89.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -74.09 -32.41 63.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -69.48 -42.94 74.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.626 ' CE1' HD22 ' A' ' 77' ' ' LEU . 76.7 m-85 -103.21 16.91 25.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -69.0 -25.58 64.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.09 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.64 -30.69 71.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 mt -53.79 151.17 12.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.543 0.687 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -49.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.702 2.268 . . . . 0.0 112.38 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -166.05 0.32 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -120.12 125.23 47.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 16' ' ' ARG . 5.4 tp -63.59 130.15 43.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -132.51 109.99 10.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.464 HD12 ' OD1' ' A' ' 12' ' ' ASP . 36.2 mt -99.57 115.79 41.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.936 HD11 ' HG3' ' A' ' 70' ' ' MET . 42.7 pt -128.53 139.27 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -97.79 120.1 37.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.53 HD21 HD12 ' A' ' 29' ' ' ILE . 22.7 mt -121.28 124.2 44.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -81.2 114.27 19.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HD3' HG22 ' A' ' 96' ' ' ILE . 13.8 mtmt -39.15 123.1 1.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 35' ' ' LYS . 13.6 t70 -80.43 175.1 10.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -34.19 -39.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -100.8 -33.4 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.63 -178.13 16.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 63' ' ' PRO . 22.6 mt -61.05 94.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.82 103.99 2.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 58' ' ' ILE . 39.8 mt -140.77 133.67 29.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -86.92 110.81 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.19 150.07 21.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -152.02 113.43 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.743 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -41.76 163.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' LYS . 21.2 t-20 -64.49 146.57 54.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.849 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.715 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 4.9 mtpm? -37.79 -45.87 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.85 106.59 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' SER . 9.1 ptt85 -42.26 -51.32 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' ARG . 5.8 m -37.55 -37.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -82.34 148.36 28.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.6 tpt -121.39 104.57 9.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.66 144.3 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 92' ' ' ALA . 20.4 mt -100.21 130.19 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.539 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 60.9 m-85 -125.95 167.39 15.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.706 HG21 ' HE2' ' A' ' 70' ' ' MET . 66.7 t -115.57 89.13 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.586 HG12 ' SD ' ' A' ' 117' ' ' MET . 6.3 m -91.41 22.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.42 151.34 8.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 40' ' ' LEU . 98.6 mt -134.79 97.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 111.114 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.41 ' CG ' ' HG2' ' A' ' 61' ' ' GLU . 9.1 t-20 -42.84 118.89 2.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.666 0.746 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.4 Cg_endo -69.8 0.08 6.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG2' ' CG ' ' A' ' 59' ' ' ASN . 10.4 pt-20 -102.51 -25.37 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.81 -175.77 49.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.626 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.4 Cg_endo -69.81 -49.03 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.29 -36.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.487 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -82.26 -34.71 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -67.93 -53.11 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -60.12 -36.1 76.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.83 48.74 59.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.527 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -122.29 -43.93 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.936 ' HG3' HD11 ' A' ' 29' ' ' ILE . 6.0 mtp -72.45 153.53 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -138.38 174.31 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.511 HG22 ' CE ' ' A' ' 117' ' ' MET . 7.8 mm -81.42 119.76 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.53 -18.96 6.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.4 m-20 -60.85 136.53 58.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -108.83 100.04 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.476 HD13 HD11 ' A' ' 79' ' ' ILE . 80.2 mt -50.2 136.11 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.626 HD22 ' CE1' ' A' ' 19' ' ' TYR . 17.2 mt -118.85 -39.2 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.423 ' C ' HG13 ' A' ' 79' ' ' ILE . 47.3 mt-10 -148.09 151.62 35.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.557 HD12 HD11 ' A' ' 84' ' ' LEU . 90.2 mt -152.0 131.32 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 48.67 43.26 20.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.0 m120 62.64 54.44 2.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -154.9 119.6 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.6 mt -74.47 127.38 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.557 HD11 HD12 ' A' ' 79' ' ' ILE . 7.9 mt -101.66 -20.42 15.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -47.69 96.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.35 30.92 2.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -145.36 166.11 26.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.0 p -77.8 146.15 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -49.17 -46.06 44.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -45.86 -41.77 11.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -59.72 -48.96 79.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.549 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -48.08 -62.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -49.4 -41.0 38.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.25 73.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 84' ' ' LEU . 81.1 mt -54.26 -39.56 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.507 HD13 HD12 ' A' ' 38' ' ' LEU . 83.4 mt -65.17 -47.29 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -51.25 -42.55 61.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.3 p -75.28 -25.1 57.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.43 154.36 94.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.067 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 174.94 8.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -44.06 -57.0 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.807 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -81.03 116.12 20.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.9 t -126.24 142.08 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -99.59 117.52 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.459 ' CD1' HD12 ' A' ' 31' ' ' LEU . 5.8 mt -106.78 120.02 40.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.644 HG11 HG21 ' A' ' 15' ' ' ILE . 93.2 t -110.15 102.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.484 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 31.9 p90 -128.4 171.97 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.2 tt -112.32 155.79 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -112.07 94.19 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 112' ' ' ASP . 31.1 t-20 -124.28 114.99 20.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.967 ' O ' HG22 ' A' ' 114' ' ' VAL . 13.2 tt0 -51.13 -42.65 60.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 1.1 m-20 -60.88 -28.91 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 110' ' ' ASN . . . -54.69 -42.59 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.967 HG22 ' O ' ' A' ' 111' ' ' GLU . 28.5 m -44.13 -33.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -91.6 -51.86 5.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -45.16 -38.18 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.586 ' SD ' HG12 ' A' ' 56' ' ' VAL . 22.4 ptt? -68.82 124.46 23.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 44' ' ' GLY . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.913 0.387 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' ASP . 43.4 p -88.15 141.13 28.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -34.82 -65.42 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 14' ' ' LYS . 9.3 pt20 -38.63 -42.54 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 5.0 mmpt? -76.26 -39.64 53.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.585 HG21 HG11 ' A' ' 106' ' ' VAL . 89.5 mt -58.58 -49.29 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.71 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 18.9 ptt180 -63.74 -39.87 95.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -73.23 -27.43 61.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -74.58 -39.69 62.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.459 ' CG ' HD13 ' A' ' 77' ' ' LEU . 81.5 m-85 -107.48 14.33 25.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -65.1 -19.09 65.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -72.89 -27.59 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.415 ' HB3' HD13 ' A' ' 108' ' ' ILE . 24.5 mt -54.99 152.05 14.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.69 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.464 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.76 -175.44 6.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.65 126.11 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.554 HD21 HG22 ' A' ' 15' ' ' ILE . 6.9 tp -59.0 134.16 56.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -131.8 96.4 3.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.534 HG12 HG22 ' A' ' 106' ' ' VAL . 31.8 mt -91.43 105.74 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.885 HD11 ' HG3' ' A' ' 70' ' ' MET . 33.0 pt -123.9 136.99 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -95.71 124.27 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.68 HD12 ' CD1' ' A' ' 105' ' ' LEU . 14.8 mt -122.36 125.83 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -82.34 112.35 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.474 ' HD3' HG22 ' A' ' 96' ' ' ILE . 5.5 mtmp? -39.92 131.55 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.3 t0 -92.0 -178.36 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ASP . 22.0 ttmt -35.56 -32.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ASP . 91.1 m-20 -114.3 -21.98 10.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.74 -166.68 12.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.549 HD13 HD11 ' A' ' 105' ' ' LEU . 10.3 mt -70.8 98.84 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.67 99.26 2.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mt -135.69 136.93 41.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.9 m -83.6 100.88 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.19 143.93 25.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.66 123.44 10.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.19 155.62 7.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -53.02 138.94 29.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.625 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 13.7 mtpp -46.79 -35.08 5.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -94.73 112.29 24.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' ARG . 25.7 ttt180 -48.49 -61.67 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ARG . 74.6 m -36.65 -33.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' ARG . 8.1 mtt85 -94.81 140.12 30.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.3 mmt -115.25 130.63 56.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 m -175.64 151.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.486 HD13 ' HB2' ' A' ' 92' ' ' ALA . 14.5 mt -115.63 123.36 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CZ ' ' OE2' ' A' ' 75' ' ' GLU . 85.5 m-85 -119.01 178.72 4.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.691 HG21 ' HE2' ' A' ' 70' ' ' MET . 90.1 t -119.78 95.84 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.839 HG12 ' SD ' ' A' ' 117' ' ' MET . 16.8 m -93.7 20.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.92 150.8 7.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.9 mt -134.97 97.77 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 111.125 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -43.92 122.06 3.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.76 -13.97 35.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -91.74 -22.72 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.25 -178.72 49.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.5 Cg_endo -69.76 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -38.25 -44.39 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -69.04 -36.49 77.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.88 -51.88 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.31 -32.96 70.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.86 46.71 93.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -122.27 -50.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.885 ' HG3' HD11 ' A' ' 29' ' ' ILE . 5.7 mtp -64.78 146.23 55.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 70' ' ' MET . 11.6 mmt-85 -130.5 177.15 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.8 mm -82.31 119.84 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.26 -20.04 7.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.549 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 71.7 m-20 -51.6 144.73 10.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.571 ' OE2' ' CZ ' ' A' ' 54' ' ' PHE . 42.7 tt0 -117.03 105.25 12.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.765 HD13 HD11 ' A' ' 79' ' ' ILE . 68.6 mt -58.29 128.43 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.459 HD13 ' CG ' ' A' ' 19' ' ' TYR . 26.5 mt -111.37 -45.17 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -140.48 153.23 46.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.765 HD11 HD13 ' A' ' 76' ' ' LEU . 72.4 mt -154.0 131.92 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 48.95 33.91 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 71.88 53.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -154.7 124.86 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.7 mt -78.15 127.39 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.499 HD11 HD12 ' A' ' 79' ' ' ILE . 11.0 mt -99.43 -29.91 12.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' LEU . 58.8 t80 -37.28 109.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.11 26.01 7.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -141.29 168.96 18.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.8 p -88.62 153.04 21.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -54.44 -39.24 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -50.31 -26.88 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -77.46 -41.06 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -54.84 -66.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.4 p -40.38 -42.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.49 -50.97 71.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.4 mt -55.15 -47.31 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.474 HG22 ' HD3' ' A' ' 33' ' ' LYS . 85.9 mt -60.49 -44.25 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -52.46 -43.65 65.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.1 p -77.05 -24.79 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' A' ' 103' ' ' VAL . . . -69.6 149.44 96.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.6 Cg_endo -69.78 170.92 15.46 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.318 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' PRO . 67.1 m -38.23 -55.47 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -82.21 117.1 22.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.493 HG22 ' HB1' ' A' ' 99' ' ' ALA . 89.6 t -127.89 140.45 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -95.42 125.05 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.68 ' CD1' HD12 ' A' ' 31' ' ' LEU . 4.9 mt -114.61 117.73 31.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.585 HG11 HG21 ' A' ' 15' ' ' ILE . 95.3 t -111.01 99.61 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 23.0 p90 -125.04 -176.56 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.496 HG22 ' HB3' ' A' ' 75' ' ' GLU . 5.9 tt -122.74 145.92 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -100.78 91.89 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -125.93 127.15 45.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.928 ' O ' HG22 ' A' ' 114' ' ' VAL . 17.1 pt-20 -69.33 -33.46 73.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.85 -28.5 68.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.75 71.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.928 HG22 ' O ' ' A' ' 111' ' ' GLU . 16.5 m -52.18 -22.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -92.62 -19.08 22.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.41 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 56.3 mt-30 -88.86 -38.58 14.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.839 ' SD ' HG12 ' A' ' 56' ' ' VAL . 25.9 ptt? -66.19 137.74 57.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.625 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.946 0.403 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LYS . 12.3 p -77.99 135.26 37.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' THR . 1.9 m-20 -35.98 -38.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -61.59 -48.81 79.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 11' ' ' THR . 24.8 mmmt -72.22 -24.38 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.557 HG21 HG11 ' A' ' 106' ' ' VAL . 94.1 mt -74.62 -46.56 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.717 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 6.9 ptm180 -66.76 -37.65 85.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 18.5 mt-30 -74.14 -33.13 63.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 14.2 ttm105 -70.09 -39.42 75.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.601 ' CE1' HD22 ' A' ' 77' ' ' LEU . 73.6 m-85 -105.34 13.33 30.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -66.87 -27.99 67.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.085 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -64.08 -29.39 70.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.481 ' HB3' HD13 ' A' ' 108' ' ' ILE . 24.6 mt -52.46 152.21 6.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -49.62 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.666 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -67.1 -171.1 4.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.407 ' C ' HG13 ' A' ' 108' ' ' ILE . 6.1 tp10 -112.89 135.12 54.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.663 HD22 ' HA ' ' A' ' 16' ' ' ARG . 8.6 tp -68.83 132.06 46.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -131.67 94.85 3.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.2 mt -88.57 108.02 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.967 HD11 ' HG3' ' A' ' 70' ' ' MET . 15.4 pt -125.49 136.26 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -97.3 113.82 25.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 64' ' ' ALA . 28.3 mt -109.67 121.98 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.39 119.99 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -55.84 120.59 7.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ASN . 21.8 t0 -79.43 176.43 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ASP . 14.0 pttm -36.64 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . 30.0 t30 -98.9 -41.31 7.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.482 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 143.01 -128.15 3.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.686 HD12 HD13 ' A' ' 96' ' ' ILE . 74.6 mt -101.75 -47.98 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.59 91.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.492 HD21 ' HB1' ' A' ' 64' ' ' ALA . 32.2 mt -144.16 136.64 26.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.471 ' HB2' ' N ' ' A' ' 57' ' ' GLY . 70.7 m -84.02 128.59 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 mt -120.4 147.73 44.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.08 118.0 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.04 150.29 8.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' LYS . 28.2 t-20 -46.39 144.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' ASN . 5.4 mtpm? -34.65 -46.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -98.98 125.07 44.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.5 ttp85 -50.82 -50.11 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.1 p -40.5 -35.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 mtt85 -85.34 140.75 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.4 tpp -116.73 101.36 8.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -149.19 135.7 19.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 92' ' ' ALA . 37.8 mt -99.53 107.28 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 56.7 m-85 -105.39 168.52 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.724 HG21 ' HE1' ' A' ' 70' ' ' MET . 82.9 t -112.97 98.0 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.3 m -95.19 6.96 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' HB2' ' A' ' 41' ' ' SER . . . -172.0 152.79 18.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -134.82 105.73 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -44.59 113.03 1.58 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.4 Cg_endo -69.75 -3.56 12.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -103.59 -19.5 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.92 -174.15 46.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.6 Cg_endo -69.71 -47.97 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.521 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -39.0 -39.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.058 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -80.41 -44.37 19.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.25 -56.75 17.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -49.14 -35.23 16.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.3 39.3 94.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -118.51 -51.8 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.967 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.3 mtp -66.14 135.82 55.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HG3' ' NH2' ' A' ' 109' ' ' ARG . 14.8 mmt180 -124.2 176.87 6.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.9 mm -82.78 120.48 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.089 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.93 -16.52 6.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.544 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.547 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 71.2 m-20 -58.74 160.75 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.309 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 27.2 tt0 -131.54 98.51 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.462 HD13 HD11 ' A' ' 79' ' ' ILE . 96.5 mt -51.94 135.03 31.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.601 HD22 ' CE1' ' A' ' 19' ' ' TYR . 10.4 mt -119.47 -43.9 2.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.962 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -142.79 148.88 37.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.564 HG12 HD23 ' A' ' 105' ' ' LEU . 71.2 mt -147.65 135.56 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.436 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 14.0 t-20 44.94 35.35 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.9 t30 71.93 41.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -142.73 108.36 5.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.48 129.08 29.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.477 ' CD2' HD12 ' A' ' 95' ' ' ILE . 8.8 mt -99.36 -21.3 16.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -46.34 98.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.54 3.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -144.31 163.17 34.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.9 p -78.31 147.92 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -51.09 -42.62 60.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -49.51 -41.99 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 63.8 m-20 -60.57 -52.18 66.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.451 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -41.02 -63.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.6 t -44.11 -39.54 4.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -57.37 -55.35 35.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 84' ' ' LEU . 72.8 mt -50.48 -43.08 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.686 HD13 HD12 ' A' ' 38' ' ' LEU . 98.3 mt -62.15 -47.31 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -50.86 -42.76 59.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.2 p -77.45 -27.59 52.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.4 149.5 91.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.561 0.696 . . . . 0.0 111.119 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.436 ' HD2' ' ND2' ' A' ' 80' ' ' ASN . 54.1 Cg_endo -69.71 169.59 18.48 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 100' ' ' PRO . 1.2 t -35.78 -63.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.47 123.0 25.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.3 t -130.44 142.86 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -100.18 120.88 40.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.564 HD23 HG12 ' A' ' 79' ' ' ILE . 5.2 mt -109.74 121.81 46.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.557 HG11 HG21 ' A' ' 15' ' ' ILE . 76.8 t -113.37 102.49 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 17.9 p90 -131.65 175.15 9.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.666 HD11 ' C ' ' A' ' 24' ' ' GLY . 10.8 tt -119.2 142.05 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.418 ' NH2' ' HG3' ' A' ' 71' ' ' ARG . 2.2 tpp85 -100.59 109.61 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 113' ' ' ALA . 30.5 t-20 -136.29 106.97 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.949 ' O ' HG22 ' A' ' 114' ' ' VAL . 5.1 tp10 -44.35 -42.09 6.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -62.09 -33.16 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 110' ' ' ASN . . . -50.37 -43.21 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.949 HG22 ' O ' ' A' ' 111' ' ' GLU . 18.8 m -47.27 -28.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -87.26 -47.07 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -56.94 -35.47 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.511 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 18.9 ptt? -72.53 123.29 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 117' ' ' MET . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.919 0.39 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 21.5 p -80.84 144.14 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -38.48 -41.59 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -61.07 -41.87 97.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 14.8 mmtp -78.59 -27.38 45.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.483 HG22 HD21 ' A' ' 26' ' ' LEU . 84.2 mt -71.87 -45.3 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.809 ' HA ' HD22 ' A' ' 26' ' ' LEU . 36.2 ptt180 -66.72 -39.23 87.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -74.06 -31.19 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -69.84 -41.18 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.449 ' CG ' HD13 ' A' ' 77' ' ' LEU . 76.6 m-85 -103.12 11.57 36.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.14 -21.91 66.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -31.86 69.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.6 mt -52.4 151.77 7.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.525 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -63.49 -171.5 1.87 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -112.33 133.77 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.809 HD22 ' HA ' ' A' ' 16' ' ' ARG . 8.7 tp -71.24 133.77 46.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -138.21 108.58 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.9 mt -99.94 114.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.933 HD11 ' HG3' ' A' ' 70' ' ' MET . 49.7 pt -128.03 137.72 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -98.12 108.81 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.617 HD21 HD12 ' A' ' 29' ' ' ILE . 22.8 mt -104.83 126.0 51.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -79.61 110.99 15.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.726 ' HZ2' HG21 ' A' ' 103' ' ' VAL . 17.1 mtmm -46.54 120.51 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 36' ' ' ASN . 27.4 t0 -79.3 179.75 7.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -44.23 -22.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 34' ' ' ASP . 7.3 p30 -108.63 -39.79 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.57 -172.93 15.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.428 HD13 HD11 ' A' ' 105' ' ' LEU . 21.3 mt -66.13 74.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.34 93.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.601 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.2 mt -137.98 139.59 39.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 m -92.8 111.2 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -95.71 150.82 19.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.98 128.67 10.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -65.66 136.84 36.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.436 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' LYS . 26.3 t-20 -35.68 141.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 27.5 mttm -34.69 -46.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.47 109.57 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -47.87 -47.23 31.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.9 m -46.46 -28.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -89.4 94.64 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.9 tpt -70.88 94.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.6 149.05 30.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 mt -105.68 143.8 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 49.7 m-85 -140.08 173.58 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.538 HG21 ' CE ' ' A' ' 70' ' ' MET . 97.3 t -114.74 100.67 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.2 m -100.72 19.14 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.08 151.49 7.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' A' ' 64' ' ' ALA . 96.0 mt -134.23 98.96 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.169 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 58' ' ' ILE . 5.2 t-20 -34.84 120.8 0.57 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -12.66 33.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.25 . . . . 0.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -104.7 -6.53 20.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.01 -178.33 47.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.17 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.731 2.287 . . . . 0.0 112.275 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.601 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -43.72 -41.31 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.33 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.43 -50.93 57.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -64.72 -29.37 70.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.72 40.11 98.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -112.92 -57.52 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.933 ' HG3' HD11 ' A' ' 29' ' ' ILE . 15.5 mtp -61.31 137.4 58.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 -120.53 175.51 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.3 mm -83.48 122.59 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.95 -17.0 9.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.462 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -55.04 142.49 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.836 0.351 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 43.2 tt0 -110.75 94.1 4.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.411 HD13 HD11 ' A' ' 79' ' ' ILE . 93.4 mt -47.09 136.48 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.449 HD13 ' CG ' ' A' ' 19' ' ' TYR . 25.7 mt -117.73 -42.38 2.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.426 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.6 mt-10 -146.82 157.99 43.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.45 ' CD1' HD11 ' A' ' 84' ' ' LEU . 74.5 mt -153.6 110.79 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 63.33 44.54 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.2 t30 66.48 48.19 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' A' ' 95' ' ' ILE . 36.9 mt-30 -149.82 110.2 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.1 mt -72.15 130.56 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.58 ' CD2' HD12 ' A' ' 95' ' ' ILE . 10.3 mt -101.68 -22.36 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -39.97 107.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.78 29.88 6.35 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -139.68 169.05 18.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 86.6 p -87.25 150.47 23.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -59.23 -18.08 33.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -71.91 -25.62 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -80.64 -41.45 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.078 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -56.53 -41.04 76.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.92 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.58 HD12 ' CD2' ' A' ' 84' ' ' LEU . 66.2 mt -56.52 -44.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.184 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . 0.448 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 49.0 mt -62.82 -44.54 99.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -55.53 -35.45 65.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.5 p -87.13 -19.31 28.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.484 ' HB3' ' HZ1' ' A' ' 33' ' ' LYS . . . -73.79 151.29 88.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.577 0.704 . . . . 0.0 111.073 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 173.21 11.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.652 2.234 . . . . 0.0 112.311 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.9 m -45.39 -63.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -76.44 112.63 13.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.726 HG21 ' HZ2' ' A' ' 33' ' ' LYS . 13.4 t -122.62 147.69 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -107.79 108.47 19.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.481 ' CD1' HD12 ' A' ' 31' ' ' LEU . 6.0 mt -92.95 139.16 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.448 HG11 HG21 ' A' ' 15' ' ' ILE . 95.3 t -125.95 102.97 10.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 39.2 p90 -128.82 179.63 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.525 HD11 ' C ' ' A' ' 24' ' ' GLY . 10.2 tt -128.16 124.45 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -78.77 140.57 38.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -168.29 132.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.6 ' O ' HG22 ' A' ' 114' ' ' VAL . 10.1 pt-20 -75.61 -21.47 57.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.4 -23.97 37.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -56.29 -50.76 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 111' ' ' GLU . 33.0 m -40.55 -35.73 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -74.28 -40.21 62.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 113' ' ' ALA . 75.4 mm-40 -70.18 -51.74 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.459 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -53.77 140.38 30.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.882 0.373 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 12' ' ' ASP . 22.3 p -89.91 139.11 30.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 11' ' ' THR . 8.1 t0 -37.18 -39.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -56.94 -47.06 81.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' THR . 5.3 mmpt? -74.74 -29.95 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.658 HG21 HG11 ' A' ' 106' ' ' VAL . 97.8 mt -67.84 -53.97 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.817 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.0 ptt180 -56.96 -40.49 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 25.7 mt-30 -75.95 -32.24 59.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -66.09 -46.54 77.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.618 ' CE1' HD22 ' A' ' 77' ' ' LEU . 83.5 m-85 -99.94 13.81 32.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -64.07 -19.85 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.58 -16.16 60.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' A' ' 108' ' ' ILE . 40.6 mt -66.42 152.52 94.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.608 ' O ' HD11 ' A' ' 108' ' ' ILE . . . -64.63 -175.6 4.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -108.98 126.03 52.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.867 0.365 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.817 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.4 tp -62.42 127.24 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -130.14 106.85 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.438 HG12 HG22 ' A' ' 106' ' ' VAL . 52.0 mt -99.57 115.92 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.892 HD11 ' HG3' ' A' ' 70' ' ' MET . 24.2 pt -130.15 139.72 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -100.06 122.94 43.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.3 mt -121.36 133.79 55.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -89.13 112.91 24.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -37.47 117.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -75.19 -175.17 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -45.44 -24.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -116.76 -20.04 9.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.32 -178.71 26.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.552 HD23 ' HG3' ' A' ' 63' ' ' PRO . 17.2 mt -58.98 109.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' HG ' ' A' ' 40' ' ' LEU . . . -100.83 110.53 3.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' C ' ' A' ' 39' ' ' GLY . 6.4 mt -147.2 137.35 23.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 110.937 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.7 m -90.04 103.0 15.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.7 mt -90.81 149.19 22.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.24 130.68 14.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.92 168.77 4.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.8 t-20 -76.12 139.91 41.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' ASN . 61.8 mttt -35.03 -48.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.68 112.45 22.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -49.4 -50.19 41.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.6 m -46.98 -33.7 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -89.24 123.93 33.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.437 ' HE3' ' O ' ' A' ' 86' ' ' GLY . 4.4 mmm -99.4 129.18 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 m -174.96 142.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.6 mt -109.1 115.36 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 73.3 m-85 -111.51 170.08 8.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.402 HG21 ' HE2' ' A' ' 70' ' ' MET . 97.7 t -112.99 95.99 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.54 HG12 ' SD ' ' A' ' 117' ' ' MET . 5.6 m -96.49 23.74 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.41 149.27 6.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.8 mt -131.27 98.97 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.425 ' CG ' ' HG2' ' A' ' 61' ' ' GLU . 11.2 t-20 -39.29 118.32 1.18 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -4.43 14.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.425 ' HG2' ' CG ' ' A' ' 59' ' ' ASN . 4.4 pt-20 -101.38 -23.27 14.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.61 -178.58 51.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HG3' HD23 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.73 -48.67 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.31 -41.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.65 68.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.27 -48.67 74.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -61.74 -39.94 93.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.27 31.91 63.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -106.6 -52.69 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.892 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.3 mtp -62.96 137.55 58.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 5.7 mmm180 -124.13 168.74 12.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.2 mm -76.34 121.56 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.35 -21.44 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.599 ' CG ' ' CD1' ' A' ' 107' ' ' PHE . 77.4 m-20 -54.12 146.76 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -116.86 98.08 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.432 HD13 HD11 ' A' ' 79' ' ' ILE . 91.9 mt -50.35 127.25 16.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.618 HD22 ' CE1' ' A' ' 19' ' ' TYR . 19.8 mt -108.82 -45.97 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -144.38 155.98 44.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.733 HD12 HD11 ' A' ' 84' ' ' LEU . 66.1 mt -151.05 139.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' ILE . 8.1 t-20 35.96 48.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 62.26 54.77 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -158.63 114.73 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.5 mt -73.03 129.12 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 79' ' ' ILE . 17.9 mt -99.87 -21.91 15.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -44.45 106.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.437 ' O ' ' HE3' ' A' ' 51' ' ' MET . . . 114.39 -38.17 3.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -75.23 176.99 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.6 p -87.06 162.27 17.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -67.48 -34.91 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -59.38 -40.86 87.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -61.29 -42.32 98.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.95 -53.67 46.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -54.05 -34.81 61.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.12 91.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.2 -40.71 88.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.98 -44.72 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -53.56 -45.3 69.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.3 p -76.04 -19.69 58.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.69 152.31 93.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.619 0.724 . . . . 0.0 111.071 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 173.71 10.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 m -42.53 -64.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -77.06 110.58 11.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -116.0 141.9 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -97.82 125.33 42.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.8 mt -117.4 128.19 54.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.658 HG11 HG21 ' A' ' 15' ' ' ILE . 96.1 t -120.18 101.59 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.599 ' CD1' ' CG ' ' A' ' 74' ' ' ASP . 50.9 p90 -125.46 177.69 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 24' ' ' GLY . 7.6 tt -125.43 123.66 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -79.67 110.09 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -134.21 106.75 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.802 ' O ' HG22 ' A' ' 114' ' ' VAL . 11.9 tt0 -53.52 -22.91 9.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -78.26 -31.81 49.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.93 -37.52 63.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 111' ' ' GLU . 24.4 m -49.23 -24.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -88.85 -46.88 8.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -54.7 -65.13 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.54 ' SD ' HG12 ' A' ' 56' ' ' VAL . 13.1 ptt? -42.56 128.41 3.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.924 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.955 0.407 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' LYS . 24.5 p -82.17 134.54 35.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -36.96 -48.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -55.57 -41.28 73.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' THR . 28.2 mmtm -78.37 -28.11 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.581 HG21 HG11 ' A' ' 106' ' ' VAL . 93.9 mt -70.02 -48.67 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.543 ' HA ' HD22 ' A' ' 26' ' ' LEU . 32.9 ptt180 -62.56 -42.33 99.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -70.17 -31.46 68.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 18' ' ' ARG . 15.5 ttm105 -69.35 -40.86 77.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.549 ' CD2' HD13 ' A' ' 77' ' ' LEU . 69.7 m-85 -104.1 14.55 30.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -66.3 -18.18 65.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.95 -28.1 49.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.549 ' HB3' HD13 ' A' ' 108' ' ' ILE . 24.3 mt -51.43 152.77 4.23 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -49.16 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.337 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.699 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.52 -167.6 2.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -119.28 121.88 40.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.543 HD22 ' HA ' ' A' ' 16' ' ' ARG . 3.7 tp -60.86 129.15 40.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -131.1 99.68 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.488 HG12 HG22 ' A' ' 106' ' ' VAL . 70.5 mt -88.96 109.5 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.905 HD11 ' HG3' ' A' ' 70' ' ' MET . 16.0 pt -128.34 136.42 60.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -89.91 113.78 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.565 HD13 ' HA ' ' A' ' 64' ' ' ALA . 18.8 mt -107.67 118.92 38.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 108.79 12.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.598 ' HZ2' HG21 ' A' ' 103' ' ' VAL . 10.7 mtmm -44.85 122.34 3.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' ASN . 23.3 t0 -79.85 177.41 8.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -40.77 -24.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' ASP . 12.7 p30 -107.96 -39.53 5.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.12 -174.41 15.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.47 HD13 HD21 ' A' ' 105' ' ' LEU . 14.1 mt -64.84 89.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.14 97.09 1.51 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.419 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.5 mt -135.77 137.86 42.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.353 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -84.83 105.37 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.417 ' CB ' ' HB2' ' A' ' 89' ' ' HIS . 36.9 mt -91.03 144.77 25.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.578 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -149.41 119.1 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -58.88 135.41 52.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 46' ' ' LYS . 26.0 t-20 -35.7 137.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.384 . . . . 0.0 110.866 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.823 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 41.5 mttm -34.16 -43.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -90.69 109.73 20.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -55.93 -23.23 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.0 p -65.47 -22.22 66.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -105.18 93.32 4.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 tpt -65.94 99.39 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.85 150.25 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' A' ' 89' ' ' HIS . 62.1 mt -116.17 130.52 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 77.2 m-85 -128.86 -177.43 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.1 t -121.24 102.12 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.444 ' HA ' HG23 ' A' ' 72' ' ' ILE . 5.5 m -102.18 20.63 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.17 149.35 7.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.5 mt -135.05 98.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.377 . . . . 0.0 111.097 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 23.6 t30 -45.13 125.17 5.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.96 27.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -99.61 -17.22 17.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.51 179.2 53.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.414 ' CG ' HD23 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.75 -45.82 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.673 2.248 . . . . 0.0 112.349 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.565 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -46.77 -40.85 14.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -65.69 -42.85 90.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.7 98.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -62.31 -45.95 90.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.74 -20.01 10.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -64.15 -47.07 81.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.905 ' HG3' HD11 ' A' ' 29' ' ' ILE . 4.5 mtp -64.29 137.36 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -133.86 170.81 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.444 HG23 ' HA ' ' A' ' 56' ' ' VAL . 6.7 mm -75.43 119.8 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 113' ' ' ALA . . . 126.92 -12.51 6.85 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.562 ' CG ' ' CE1' ' A' ' 107' ' ' PHE . 91.3 m-20 -60.62 146.32 45.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.732 0.301 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -116.64 96.78 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.826 HD13 HD11 ' A' ' 79' ' ' ILE . 70.1 mt -52.74 109.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.549 HD13 ' CD2' ' A' ' 19' ' ' TYR . 20.4 mt -91.22 -42.59 10.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -144.88 158.11 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.826 HD11 HD13 ' A' ' 76' ' ' LEU . 57.1 mt -153.57 130.57 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.455 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 19.9 t-20 45.47 42.33 7.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 m120 67.36 54.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -158.8 114.38 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.62 129.09 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.477 HD11 HD12 ' A' ' 79' ' ' ILE . 10.8 mt -97.8 -22.82 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -40.72 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 114.2 29.19 2.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -141.76 165.94 26.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.6 p -86.59 145.49 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.472 ' HA ' HD13 ' A' ' 53' ' ' ILE . 15.2 p80 -49.37 -30.81 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.0 -35.39 73.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -72.21 -44.01 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.42 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -49.1 -53.79 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.6 p -51.24 -40.75 59.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.98 -49.5 76.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 69.7 mt -57.62 -36.91 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.3 mt -68.11 -46.75 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -49.83 -44.55 49.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.8 p -72.97 -31.27 64.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.456 ' O ' ' NZ ' ' A' ' 33' ' ' LYS . . . -64.61 146.9 98.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.455 ' HD2' ' ND2' ' A' ' 80' ' ' ASN . 53.7 Cg_endo -69.75 -171.52 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.2 p -50.75 -61.1 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -79.41 120.7 24.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.598 HG21 ' HZ2' ' A' ' 33' ' ' LYS . 21.7 t -129.57 131.1 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.424 ' HE3' HG21 ' A' ' 28' ' ' ILE . 42.7 tttp -81.97 116.76 21.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 38' ' ' LEU . 9.8 mt -109.48 104.41 13.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 15' ' ' ILE . 88.5 t -98.68 102.65 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.562 ' CE1' ' CG ' ' A' ' 74' ' ' ASP . 47.5 p90 -128.2 178.47 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.699 HD11 ' C ' ' A' ' 24' ' ' GLY . 5.8 tt -128.26 125.47 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -81.36 94.91 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -116.58 116.17 27.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 114' ' ' VAL . 1.6 tp10 -55.16 -33.05 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.11 -25.14 64.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -48.32 -50.57 29.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 111' ' ' GLU . 19.6 m -49.69 -28.19 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -85.34 -22.92 28.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -87.92 -59.26 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.487 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 18.0 ptt? -52.93 144.1 15.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.823 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.934 0.397 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.7 p -90.08 144.38 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.82 -59.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -47.14 -37.18 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -77.22 -38.31 51.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.594 HG22 HD21 ' A' ' 26' ' ' LEU . 95.5 mt -63.48 -49.78 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.723 ' HA ' HD22 ' A' ' 26' ' ' LEU . 12.2 ptt85 -64.93 -38.66 91.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.61 -28.99 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -72.52 -39.83 67.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.648 ' CE1' HD22 ' A' ' 77' ' ' LEU . 77.7 m-85 -104.62 13.92 30.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.96 -26.48 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -67.03 -29.44 69.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 108' ' ' ILE . 20.4 mt -52.95 152.35 7.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.59 0.71 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.756 ' O ' HD11 ' A' ' 108' ' ' ILE . . . -70.22 177.72 31.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.47 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.83 129.73 48.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.723 HD22 ' HA ' ' A' ' 16' ' ' ARG . 9.6 tp -61.11 128.59 37.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -127.78 98.43 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.537 HG12 HG22 ' A' ' 106' ' ' VAL . 80.6 mt -94.93 110.78 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.826 HD11 ' HG3' ' A' ' 70' ' ' MET . 29.5 pt -124.81 147.86 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.49 123.14 43.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.642 HD21 HD12 ' A' ' 29' ' ' ILE . 60.7 mt -124.42 134.37 53.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -95.26 119.43 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -43.75 117.12 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -76.54 173.97 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.6 pttp -34.58 -36.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' ASP . 6.1 t-20 -104.27 -22.83 13.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 105.64 174.1 23.9 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.648 HD13 HD11 ' A' ' 105' ' ' LEU . 17.1 mt -54.12 113.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.918 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.7 112.41 4.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -148.38 136.36 20.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -87.77 104.76 16.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.551 HD22 HG22 ' A' ' 53' ' ' ILE . 28.8 mt -92.37 150.95 20.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -155.77 113.13 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -45.58 143.68 3.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' LYS . 23.0 t-20 -49.4 137.74 14.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.695 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 57.1 mttm -35.44 -52.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.68 108.54 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -47.07 -55.96 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -40.28 -36.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -90.02 96.61 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.538 ' HE3' ' O ' ' A' ' 86' ' ' GLY . 6.0 mmm -76.03 125.68 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.02 144.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.551 HG22 HD22 ' A' ' 42' ' ' LEU . 22.4 mt -108.92 120.13 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 79.7 m-85 -113.96 178.68 4.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -119.97 95.52 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.711 HG12 ' SD ' ' A' ' 117' ' ' MET . 5.2 m -94.27 17.54 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.45 145.8 6.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -134.82 97.06 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.504 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 3.0 t-20 -39.05 125.4 1.26 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.672 0.748 . . . . 0.0 110.832 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -17.58 37.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -95.92 -14.36 23.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.87 173.39 55.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -36.83 9.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.278 . . . . 0.0 112.319 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.41 -34.0 66.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -73.22 -37.78 66.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.64 84.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.416 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 6.6 t70 -66.33 -51.39 57.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.49 -20.8 38.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.621 ' HB2' HD13 ' A' ' 29' ' ' ILE . 7.7 mmt180 -62.36 -50.58 71.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.826 ' HG3' HD11 ' A' ' 29' ' ' ILE . 9.9 mtp -68.36 144.04 54.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -142.73 178.86 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.6 mm -77.61 122.0 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 124.61 -26.32 5.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.404 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 81.9 m-20 -48.55 155.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.299 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 66.7 tt0 -128.19 95.66 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.0 mt -51.56 113.41 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' A' ' 19' ' ' TYR . 12.7 mt -94.93 -45.29 7.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -141.76 156.02 45.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.858 HD12 HD11 ' A' ' 84' ' ' LEU . 89.8 mt -152.75 140.31 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.422 ' HB2' HG13 ' A' ' 103' ' ' VAL . 17.6 t-20 37.99 40.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 68.28 41.99 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' ILE . 5.6 mm100 -144.68 113.16 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.6 mt -70.71 126.48 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.858 HD11 HD12 ' A' ' 79' ' ' ILE . 10.6 mt -95.53 -24.37 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -45.63 104.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.538 ' O ' ' HE3' ' A' ' 51' ' ' MET . . . 118.76 -38.36 2.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.5 mtt-85 -77.6 176.22 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.6 m -91.27 146.64 23.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -50.17 -38.72 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -51.27 -42.25 60.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.52 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 4.2 m120 -65.12 -46.57 80.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -38.85 -64.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.0 p -49.8 -37.81 31.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -58.94 -43.76 91.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.42 HD12 ' CD2' ' A' ' 84' ' ' LEU . 67.7 mt -63.33 -41.45 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.8 mt -65.27 -46.56 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -52.78 -43.0 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 80.5 p -76.26 -26.87 56.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.417 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -65.96 155.79 85.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.569 0.699 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.7 Cg_endo -69.84 176.26 7.07 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.9 m -47.29 -58.97 3.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -81.61 117.19 21.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.422 HG13 ' HB2' ' A' ' 80' ' ' ASN . 21.8 t -126.72 147.98 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 28' ' ' ILE . 71.8 tttt -101.67 122.91 44.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.648 HD11 HD13 ' A' ' 38' ' ' LEU . 11.9 mt -111.79 120.59 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.537 HG22 HG12 ' A' ' 28' ' ' ILE . 97.7 t -111.09 99.94 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.58 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 26.0 p90 -123.89 176.86 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.756 HD11 ' O ' ' A' ' 24' ' ' GLY . 6.2 tt -121.52 125.68 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -80.0 87.07 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -116.08 114.75 24.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.78 ' O ' HG22 ' A' ' 114' ' ' VAL . 2.8 pp20? -65.08 -27.08 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.3 -28.83 64.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.23 -36.84 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.78 HG22 ' O ' ' A' ' 111' ' ' GLU . 26.7 m -43.05 -39.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.459 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 28.8 m-80 -83.08 -42.95 16.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -57.62 -62.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.711 ' SD ' HG12 ' A' ' 56' ' ' VAL . 26.0 ptt? -48.56 143.69 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' ASP . 62.7 p -87.19 140.03 29.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -34.44 -61.88 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -44.35 -44.72 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' THR . 6.2 mmpt? -70.97 -37.57 72.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.673 HG22 HD21 ' A' ' 26' ' ' LEU . 96.4 mt -62.26 -54.11 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.678 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 23.7 ptt180 -59.75 -41.41 90.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -72.84 -31.26 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.3 ttm-85 -69.35 -40.05 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -108.15 14.13 25.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -64.36 -18.41 64.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -73.79 -29.39 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.6 mt -52.37 151.71 7.08 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -49.3 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.599 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.27 -177.47 7.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -107.93 124.76 50.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.673 HD21 HG22 ' A' ' 15' ' ' ILE . 7.8 tp -62.29 130.1 43.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -131.11 100.84 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.616 HG21 ' HE3' ' A' ' 104' ' ' LYS . 40.2 mt -93.15 120.54 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.87 HD12 HD21 ' A' ' 31' ' ' LEU . 33.5 pt -133.57 143.02 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -97.88 113.1 24.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.87 HD21 HD12 ' A' ' 29' ' ' ILE . 21.5 mt -113.86 120.26 40.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -78.64 124.95 28.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -51.42 112.81 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' ASN . 20.7 t70 -71.25 175.69 5.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 24.0 tptp -34.35 -34.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' ASP . 8.9 t-20 -105.72 -31.01 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.429 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 122.71 -157.09 17.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.606 HD23 ' HG3' ' A' ' 63' ' ' PRO . 25.8 mt -84.17 95.75 8.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.361 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.6 106.34 2.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 58' ' ' ILE . 28.5 mt -146.75 135.46 22.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.5 m -87.29 125.59 34.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.9 mt -112.53 147.64 36.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.75 133.83 15.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.92 155.73 41.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' LYS . 34.2 t-20 -63.1 142.13 58.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' ASN . 29.7 mttp -34.23 -51.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -86.61 108.28 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -44.24 -53.34 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 m -40.09 -34.29 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -89.58 102.97 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.1 tpp -84.08 104.23 13.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -147.3 148.66 31.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.7 mt -110.85 121.3 63.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 79.1 m-85 -117.77 173.26 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.563 HG21 ' CE ' ' A' ' 70' ' ' MET . 87.6 t -115.06 87.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.0 m -87.06 24.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.07 144.73 4.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 40' ' ' LEU . 91.2 mt -132.41 110.38 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 4.2 t-20 -47.8 121.77 8.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -27.54 26.05 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.43 ' CG ' ' OD1' ' A' ' 59' ' ' ASN . 11.9 pt-20 -91.18 -10.87 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.39 -178.7 52.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.606 ' HG3' HD23 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.72 -46.3 1.29 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.46 -43.11 11.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -69.83 -50.67 40.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.063 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.62 -51.29 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -57.99 -44.75 87.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.52 42.63 21.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' ' NH2' ' A' ' 109' ' ' ARG . 3.4 mmp_? -121.49 -50.23 2.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.804 ' HG3' HD11 ' A' ' 29' ' ' ILE . 18.5 mtp -67.13 137.46 56.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -128.13 172.88 10.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.414 HG22 ' CE ' ' A' ' 117' ' ' MET . 6.8 mm -77.16 119.16 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.79 -19.28 6.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.481 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.479 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 66.2 m-20 -58.68 136.95 57.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 29.8 tt0 -108.48 95.74 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -46.49 140.53 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -123.76 -41.49 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -143.8 152.91 41.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.58 HG12 HD23 ' A' ' 105' ' ' LEU . 67.6 mt -153.55 121.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 58.91 33.11 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 73.54 39.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -139.86 114.52 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.3 mt -70.83 126.81 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.525 ' CD2' HD12 ' A' ' 95' ' ' ILE . 9.8 mt -98.59 -24.86 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -42.93 105.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.02 24.13 7.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -137.73 168.22 20.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.765 0.317 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.5 p -79.54 147.43 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -57.09 -33.22 67.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -59.92 -36.46 77.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 68.5 m-20 -65.83 -46.72 77.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.88 -60.21 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.7 t -47.73 -43.62 27.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -55.14 -49.31 72.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 84' ' ' LEU . 71.2 mt -54.72 -40.95 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 58.1 mt -64.13 -47.37 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -50.34 -44.1 54.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.0 p -75.68 -24.97 56.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.49 151.75 96.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.711 . . . . 0.0 111.058 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.9 Cg_endo -69.76 168.33 21.89 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' PRO . 8.2 m -38.05 -62.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.59 118.12 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.57 141.85 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.616 ' HE3' HG21 ' A' ' 28' ' ' ILE . 38.3 tttp -98.75 109.95 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.705 ' CD1' HD12 ' A' ' 31' ' ' LEU . 4.8 mt -97.59 138.87 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 67.0 t -127.76 104.23 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.55 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 46.8 p90 -129.81 173.12 10.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.599 HD11 ' C ' ' A' ' 24' ' ' GLY . 10.2 tt -117.17 144.25 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 69' ' ' ARG . 26.2 ttm180 -99.84 83.13 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -105.35 107.94 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 114' ' ' VAL . 10.0 tp10 -59.03 -16.77 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -89.52 -14.2 35.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -67.21 -46.0 75.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.1 m -42.77 -28.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -83.27 -35.37 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 113' ' ' ALA . 68.4 mt-30 -72.88 -47.45 45.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.527 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.63 120.14 6.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.766 ' O ' HD11 ' A' ' 15' ' ' ILE . 96.3 m-85 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.91 0.386 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 12' ' ' ASP . 27.5 p -75.44 135.33 40.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.619 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.1 m-20 -34.73 -40.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.53 -51.48 67.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' THR . 15.4 mmtp -70.04 -21.02 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.766 HD11 ' O ' ' A' ' 10' ' ' PHE . 57.9 mt -77.93 -53.94 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.874 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 11.9 ptm180 -58.78 -35.69 73.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -75.7 -35.18 60.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.476 ' HG2' ' CD2' ' A' ' 19' ' ' TYR . 2.9 ttp-105 -68.9 -43.22 75.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 18' ' ' ARG . 86.7 m-85 -103.56 16.72 25.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.874 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -68.76 -23.16 64.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -72.1 -24.21 61.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' A' ' 108' ' ' ILE . 26.2 mt -55.49 151.21 21.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.734 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.722 2.281 . . . . 0.0 112.298 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.581 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.03 -169.54 3.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.407 ' C ' HG13 ' A' ' 108' ' ' ILE . 6.1 tt0 -113.94 126.97 55.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 16' ' ' ARG . 4.2 tp -69.21 134.51 49.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -136.04 107.7 7.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.524 HG21 ' HE3' ' A' ' 104' ' ' LYS . 45.2 mt -98.76 120.55 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.9 HD11 ' HG3' ' A' ' 70' ' ' MET . 35.7 pt -137.96 141.37 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -92.37 115.24 27.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.441 HD12 ' CD1' ' A' ' 105' ' ' LEU . 25.6 mt -108.68 119.08 38.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -83.21 111.36 18.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -39.46 120.12 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 36' ' ' ASN . 14.2 t0 -84.69 -175.79 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' ASP . 7.0 ptmm? -35.59 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' ASP . 39.6 m-20 -116.55 -13.82 10.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 98.85 -166.53 21.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.914 HD13 HD11 ' A' ' 105' ' ' LEU . 9.9 mt -68.14 105.33 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.4 117.01 5.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.538 HD21 ' CB ' ' A' ' 64' ' ' ALA . 19.3 mt -150.35 136.74 18.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.8 m -85.59 107.35 17.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.456 HD22 ' CG2' ' A' ' 53' ' ' ILE . 25.3 mt -96.84 146.6 24.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -149.8 114.54 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.458 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -47.6 148.82 3.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -47.09 145.19 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 33.4 mttm -46.42 -49.52 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.63 114.62 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -50.71 -50.16 55.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' ARG . 2.0 m -36.93 -37.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -87.87 151.53 22.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.63 119.16 22.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -170.22 167.03 8.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.897 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 92' ' ' ALA . 47.7 mt -116.17 133.02 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 75' ' ' GLU . 75.3 m-85 -129.36 168.89 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 74' ' ' ASP . 94.7 t -115.64 90.04 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.758 HG12 ' SD ' ' A' ' 117' ' ' MET . 5.1 m -88.01 20.52 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.66 152.42 8.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -134.56 98.86 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 19.2 t30 -40.11 122.51 1.63 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -8.01 22.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -102.79 -14.94 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.06 176.86 50.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.487 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.5 Cg_endo -69.81 -41.83 3.88 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.538 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -49.4 -35.07 17.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -78.73 -33.35 46.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.92 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -66.96 -50.7 61.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.61 -22.03 35.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -41.65 96.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.9 ' HG3' HD11 ' A' ' 29' ' ' ILE . 6.0 mtp -72.61 137.02 45.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -134.13 174.81 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.42 HG22 ' CE ' ' A' ' 117' ' ' MET . 5.7 mm -75.01 121.1 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.25 -17.59 8.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.494 ' OD2' ' CE1' ' A' ' 107' ' ' PHE . 98.9 m-20 -58.48 125.1 21.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.553 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 47.1 tt0 -101.1 101.33 12.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.623 HD13 HD11 ' A' ' 79' ' ' ILE . 97.7 mt -49.77 144.61 6.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.5 mt -123.7 -41.78 2.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.433 ' C ' HG13 ' A' ' 79' ' ' ILE . 64.4 mt-10 -147.14 156.38 42.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.623 HD11 HD13 ' A' ' 76' ' ' LEU . 85.8 mt -152.85 136.31 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 40.85 35.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 73.55 48.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -145.63 109.08 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.9 mt -68.1 124.81 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.547 ' CD2' ' CD1' ' A' ' 95' ' ' ILE . 11.2 mt -98.3 -22.23 16.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -46.73 97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 114.51 23.3 4.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -137.71 179.94 6.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.319 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -91.94 155.29 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.526 ' CE1' ' HG2' ' A' ' 90' ' ' GLN . 27.9 p80 -60.71 -34.46 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLN . . . . . 0.526 ' HG2' ' CE1' ' A' ' 89' ' ' HIS . 14.0 mm100 -56.21 -32.14 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 3.1 m120 -68.23 -46.86 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -46.76 -69.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.7 p -39.4 -44.72 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -57.92 -46.02 85.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ILE . . . . . 0.547 ' CD1' ' CD2' ' A' ' 84' ' ' LEU . 53.2 mt -58.1 -42.53 83.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.82 -46.51 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -52.01 -43.77 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.2 p -72.96 -24.8 60.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.413 ' HB1' HG22 ' A' ' 103' ' ' VAL . . . -72.22 153.77 92.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 111.101 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -168.81 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.1 p -54.52 -59.78 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -83.18 106.16 14.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.489 ' HB ' HD11 ' A' ' 38' ' ' LEU . 38.9 t -112.47 128.75 68.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.524 ' HE3' HG21 ' A' ' 28' ' ' ILE . 22.9 tttp -79.64 124.42 28.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.914 HD11 HD13 ' A' ' 38' ' ' LEU . 11.6 mt -117.47 117.87 30.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.0 t -112.0 106.89 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.495 ' CZ ' ' HG2' ' A' ' 70' ' ' MET . 41.6 p90 -130.7 177.89 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.581 HD11 ' C ' ' A' ' 24' ' ' GLY . 8.0 tt -128.75 122.15 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -86.38 111.27 20.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -127.07 161.34 28.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.74 ' O ' HG22 ' A' ' 114' ' ' VAL . 17.0 pt-20 -89.57 -22.39 22.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -83.67 -23.91 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.66 -32.23 63.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 111' ' ' GLU . 21.5 m -68.28 -25.65 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASN . . . . . 0.539 ' OD1' HG23 ' A' ' 114' ' ' VAL . 24.6 m-20 -95.34 -12.89 25.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -94.22 -62.29 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.758 ' SD ' HG12 ' A' ' 56' ' ' VAL . 23.1 ptt? -47.26 138.6 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . 0.663 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.4 m 49.3 41.72 20.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.378 . . . . 0.0 110.868 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 p -139.53 131.46 27.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.82 -179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.31 -120.73 2.18 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 t -73.36 104.17 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.4 m -87.46 151.72 22.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.74 85.74 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.16 40.2 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.362 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -90.86 -7.32 52.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.6 m-85 -105.21 13.29 30.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.6 p -74.36 139.12 43.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.126 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -39.96 -57.51 1.6 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -46.59 -41.16 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -75.85 -34.19 60.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.595 HG22 HD21 ' A' ' 26' ' ' LEU . 86.9 mt -65.58 -49.48 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.699 ' HA ' HD22 ' A' ' 26' ' ' LEU . 24.8 ptt180 -64.31 -39.52 94.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -74.69 -29.53 61.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -70.13 -39.26 75.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.562 ' CG ' HD13 ' A' ' 77' ' ' LEU . 80.1 m-85 -107.06 12.35 28.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.7 -19.88 65.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -72.48 -29.73 63.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.44 ' HB3' HD13 ' A' ' 108' ' ' ILE . 28.4 mt -55.56 151.26 21.79 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.602 0.715 . . . . 0.0 110.901 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.22 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.714 2.276 . . . . 0.0 112.368 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.79 -166.95 0.32 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -121.59 122.06 38.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.858 0.361 . . . . 0.0 110.909 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.5 tp -56.52 129.28 40.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.963 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -128.27 100.18 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 61.7 mt -95.56 110.38 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.17 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.933 HD11 ' HG3' ' A' ' 70' ' ' MET . 38.3 pt -129.36 138.48 54.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -94.85 119.47 33.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 64' ' ' ALA . 57.2 mt -117.79 120.21 37.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -75.51 113.54 13.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -41.37 128.86 3.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.476 ' O ' ' N ' ' A' ' 36' ' ' ASN . 20.4 t70 -87.9 175.84 7.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 34' ' ' ASP . 48.3 mtmt -34.24 -34.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' ASP . 3.7 t30 -106.52 -27.96 10.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.437 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 112.76 -167.32 12.31 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.696 HD23 ' HG3' ' A' ' 63' ' ' PRO . 20.0 mt -69.27 86.14 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.876 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.01 98.37 1.71 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.514 HD21 ' CB ' ' A' ' 64' ' ' ALA . 9.3 mt -136.96 136.77 38.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -83.07 114.75 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.428 HD22 HG22 ' A' ' 53' ' ' ILE . 43.3 mt -103.5 151.18 23.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.5 136.83 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -65.0 168.96 28.06 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 46' ' ' LYS . 23.4 t-20 -71.99 145.99 47.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 45' ' ' ASN . 46.4 mttm -35.05 -51.47 0.53 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -92.9 117.35 29.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.4 tpt180 -46.04 -52.16 12.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.9 m -42.28 -35.87 1.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.829 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.1 mtt-85 -89.43 113.18 24.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.4 mmm -92.83 127.63 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -175.02 129.92 0.3 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.863 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.428 HG22 HD22 ' A' ' 42' ' ' LEU . 16.5 mt -92.56 114.02 28.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.526 ' CD2' ' HA ' ' A' ' 117' ' ' MET . 62.9 m-85 -108.47 163.28 13.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 72' ' ' ILE . 57.9 t -105.75 96.89 4.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.596 HG11 ' HA ' ' A' ' 119' ' ' SER . 10.0 m -95.18 19.57 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.4 150.02 7.05 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.515 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.409 ' O ' ' C ' ' A' ' 59' ' ' ASN . 93.8 mt -133.63 95.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.838 0.352 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 58' ' ' ILE . 41.3 t30 -37.71 120.64 0.95 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.649 0.738 . . . . 0.0 110.868 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -5.75 16.98 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -104.62 -14.9 15.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -82.2 -178.32 52.32 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.502 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.696 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.4 Cg_endo -69.79 -50.7 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.707 2.272 . . . . 0.0 112.328 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.514 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -43.84 -34.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -76.25 -44.09 39.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.73 -49.88 76.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.053 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -58.59 -44.69 89.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.97 33.28 41.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.489 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? -110.53 -51.38 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.798 0.332 . . . . 0.0 110.859 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.933 ' HG3' HD11 ' A' ' 29' ' ' ILE . 13.4 mtp -65.92 144.98 56.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.82 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -136.35 175.83 9.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 55' ' ' VAL . 9.2 mm -78.12 124.55 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.46 ' HA2' ' CE ' ' A' ' 117' ' ' MET . . . 122.51 -17.87 8.29 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.516 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.548 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 72.9 m-20 -59.63 141.27 55.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.741 0.305 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.484 ' HB3' HG22 ' A' ' 108' ' ' ILE . 39.3 tt0 -113.36 95.32 5.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.569 HD23 ' HB3' ' A' ' 107' ' ' PHE . 79.0 mt -48.59 139.44 9.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.937 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.562 HD13 ' CG ' ' A' ' 19' ' ' TYR . 27.2 mt -123.45 -40.74 2.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -147.58 151.75 36.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.632 HG13 HD11 ' A' ' 84' ' ' LEU . 24.0 mt -149.95 117.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.081 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 60.41 44.36 12.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 63.58 44.05 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -145.48 111.76 5.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 53.7 mt -68.81 130.6 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.632 HD11 HG13 ' A' ' 79' ' ' ILE . 9.3 mt -102.01 -23.61 14.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -42.86 109.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.96 -39.03 2.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.516 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 24.1 mtp85 -74.82 165.91 24.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.814 0.34 . . . . 0.0 110.851 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.8 m -83.81 141.14 31.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.563 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 21.2 p80 -39.92 -42.02 1.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.828 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.563 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 38.3 mt-30 -49.16 -44.68 42.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -57.93 -53.49 57.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.469 ' HA ' HD12 ' A' ' 95' ' ' ILE . . . -39.29 -60.45 0.91 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.066 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.0 p -48.42 -45.78 36.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -54.96 -47.58 74.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.504 HD12 ' CD2' ' A' ' 84' ' ' LEU . 40.2 mt -56.44 -44.16 79.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.182 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.0 mt -62.48 -43.93 98.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.125 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.7 ttmt -53.14 -44.82 68.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.1 p -75.84 -24.8 55.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.137 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.43 150.34 97.91 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.604 0.716 . . . . 0.0 111.11 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.8 Cg_endo -69.72 170.5 16.39 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.747 2.298 . . . . 0.0 112.349 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 100' ' ' PRO . 1.1 t -36.98 -59.49 0.7 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.8 ttmt -80.16 126.25 30.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.4 t -135.78 129.32 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -87.16 113.93 23.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.607 HD21 HD13 ' A' ' 38' ' ' LEU . 6.0 mt -100.5 123.2 44.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 15' ' ' ILE . 88.5 t -115.26 101.0 11.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.569 ' HB3' HD23 ' A' ' 76' ' ' LEU . 17.8 p90 -126.54 -178.18 4.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.484 HG22 ' HB3' ' A' ' 75' ' ' GLU . 7.2 tt -124.91 145.38 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.4 ttt-85 -106.41 112.07 24.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 60.9 t-20 -133.98 122.87 23.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -10.45 21.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.867 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.82 -19.11 19.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.839 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -50.37 -51.64 44.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 29.0 m -47.3 -30.73 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -81.52 -26.59 34.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 113' ' ' ALA . 61.0 mt-30 -81.65 -54.01 5.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.526 ' HA ' ' CD2' ' A' ' 54' ' ' PHE . 0.9 OUTLIER -42.68 165.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -92.89 -28.76 16.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.094 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.596 ' HA ' HG11 ' A' ' 56' ' ' VAL . 5.9 t 56.06 53.94 8.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.862 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.99 81.67 0.12 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.493 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -22.12 32.45 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.244 . . . . 0.0 112.375 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.5 m 50.34 52.11 15.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 90.9 p -80.83 -46.21 15.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.499 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m -39.65 149.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.913 0.387 . . . . 0.0 110.869 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.3 t -126.9 128.14 46.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.5 122.48 2.17 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.0 m -73.27 115.7 12.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 m -104.87 156.37 18.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.13 -20.68 48.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -91.95 39.53 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.825 0.345 . . . . 0.0 110.854 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.63 -10.8 44.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.059 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -97.82 13.27 31.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' LYS . 40.4 p -73.65 141.65 46.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.26 -55.37 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -50.88 -36.43 37.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' THR . 53.2 mmtt -76.82 -37.69 55.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.572 HG22 HD21 ' A' ' 26' ' ' LEU . 79.9 mt -65.22 -53.15 43.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.758 ' HA ' HD22 ' A' ' 26' ' ' LEU . 13.2 ptm180 -59.4 -31.76 69.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -83.49 -29.29 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -71.24 -41.39 70.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.831 ' CE1' HD22 ' A' ' 77' ' ' LEU . 83.0 m-85 -103.21 13.07 34.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.2 -25.31 68.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.086 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -69.04 -24.51 64.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.6 ' HB3' HD13 ' A' ' 108' ' ' ILE . 21.5 mt -56.25 152.55 22.52 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.63 0.728 . . . . 0.0 110.924 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -49.44 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.699 2.266 . . . . 0.0 112.363 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.691 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -68.47 -167.54 4.51 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.492 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -115.16 127.68 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.905 0.383 . . . . 0.0 110.898 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.758 HD22 ' HA ' ' A' ' 16' ' ' ARG . 6.6 tp -64.34 128.72 37.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -132.94 105.59 7.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.667 HG12 HG22 ' A' ' 106' ' ' VAL . 17.1 mt -98.11 117.01 42.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.971 HD11 ' HG3' ' A' ' 70' ' ' MET . 47.7 pt -131.88 137.51 54.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.176 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -94.19 120.96 35.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.601 HD13 ' HA ' ' A' ' 64' ' ' ALA . 35.6 mt -120.32 119.75 34.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -75.67 116.75 16.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' HA ' HD23 ' A' ' 38' ' ' LEU . 14.3 mtmt -44.09 122.41 2.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 37' ' ' GLY . 24.7 t0 -78.19 176.06 9.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 24.7 ttpt -34.39 -37.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 34' ' ' ASP . 34.7 m120 -103.18 -25.73 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 107.73 170.68 21.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.484 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.528 HD12 HD13 ' A' ' 96' ' ' ILE . 5.2 mt -42.67 112.67 0.38 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.857 0.36 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.49 103.38 2.43 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.454 HD21 ' CB ' ' A' ' 64' ' ' ALA . 6.7 mt -146.72 135.53 22.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.3 m -87.36 115.58 24.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.6 mt -100.81 152.22 20.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -153.9 139.04 17.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -66.35 158.69 48.45 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.523 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.466 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 38.1 t-20 -60.86 146.27 47.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.368 . . . . 0.0 110.911 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.466 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 38.3 mttm -34.46 -48.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -91.58 106.21 18.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.425 ' O ' ' C ' ' A' ' 49' ' ' SER . 5.4 tpt180 -43.53 -53.49 5.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.891 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 48' ' ' ARG . 32.7 t -35.27 -39.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.784 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.1 mtt-85 -80.66 138.4 36.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.847 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 47.0 tpp -108.69 102.83 11.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -151.46 149.14 28.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.794 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.408 HD13 ' HB2' ' A' ' 92' ' ' ALA . 19.9 mt -113.15 135.34 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.524 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 76.6 m-85 -132.09 178.81 6.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.539 HG21 ' HE2' ' A' ' 70' ' ' MET . 56.0 t -118.39 88.34 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.095 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.531 HG11 ' HA ' ' A' ' 119' ' ' SER . 13.9 m -87.17 22.57 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.83 150.22 7.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' O ' ' C ' ' A' ' 59' ' ' ASN . 83.8 mt -131.99 93.92 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.114 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 58' ' ' ILE . 37.7 t30 -34.92 118.83 0.57 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -6.25 18.11 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.713 2.275 . . . . 0.0 112.384 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -108.71 -8.9 15.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -86.09 177.28 49.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -38.78 7.19 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.24 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -53.64 -36.67 62.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -74.02 -40.81 62.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.81 -54.47 46.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -52.61 -42.18 64.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 73.97 41.57 40.19 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.508 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 28.3 mtm180 -121.76 -52.01 2.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.971 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.9 mtp -60.77 137.56 58.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -123.73 174.26 7.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 55' ' ' VAL . 12.0 mm -79.7 128.21 38.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.119 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 118.04 -27.8 7.25 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.502 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 67.1 m-20 -46.67 140.62 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.448 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 25.0 tt0 -110.93 101.61 10.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.524 HD13 HD11 ' A' ' 79' ' ' ILE . 94.5 mt -52.18 135.39 32.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.923 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.831 HD22 ' CE1' ' A' ' 19' ' ' TYR . 16.7 mt -117.39 -45.36 2.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -141.97 152.86 43.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.524 HD11 HD13 ' A' ' 76' ' ' LEU . 50.6 mt -153.67 134.83 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.145 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.422 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 18.6 t-20 45.16 37.43 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 16.7 m120 67.96 46.66 1.18 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.3 mm100 -147.41 106.5 3.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.7 mt -65.14 124.95 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.483 ' CD2' HD12 ' A' ' 95' ' ' ILE . 11.5 mt -92.4 -33.03 14.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LEU . 54.7 t80 -35.79 98.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 116.99 14.37 7.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 32.4 mtp85 -129.88 172.7 11.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.4 t -89.16 149.01 23.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -53.22 -28.35 26.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -64.38 -37.03 86.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.401 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 22.9 m-20 -69.58 -43.52 72.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.408 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -44.97 -59.26 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.5 p -52.9 -41.24 64.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -55.8 -43.57 77.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.119 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.483 HD12 ' CD2' ' A' ' 84' ' ' LEU . 61.5 mt -62.32 -42.17 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.121 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.528 HD13 HD12 ' A' ' 38' ' ' LEU . 71.6 mt -63.94 -44.43 97.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.158 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 16.4 ttmt -53.91 -42.92 69.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 73.3 p -74.89 -24.73 58.59 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.38 151.8 95.64 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.573 0.701 . . . . 0.0 111.097 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.422 ' HD2' ' ND2' ' A' ' 80' ' ' ASN . 54.3 Cg_endo -69.74 172.44 12.62 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.723 2.282 . . . . 0.0 112.36 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.0 m -40.32 -65.79 0.37 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.9 ttmt -73.67 115.33 12.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 36.2 t -125.17 143.95 36.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.596 ' HE3' HG21 ' A' ' 28' ' ' ILE . 50.1 tttt -101.86 118.0 36.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mt -106.35 130.28 54.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.975 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.667 HG22 HG12 ' A' ' 28' ' ' ILE . 90.2 t -119.81 99.81 8.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.577 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 35.5 p90 -128.34 168.71 15.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.691 HD11 ' C ' ' A' ' 24' ' ' GLY . 5.5 tt -116.73 131.47 69.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.157 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -87.55 85.72 7.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.411 ' O ' ' HB3' ' A' ' 113' ' ' ALA . 30.5 t-20 -103.99 123.96 48.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.73 ' O ' HG22 ' A' ' 114' ' ' VAL . 12.6 pt-20 -59.63 -40.86 88.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.77 -22.04 66.55 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -49.74 -56.33 10.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.73 HG22 ' O ' ' A' ' 111' ' ' GLU . 34.6 m -43.12 -37.63 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.129 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 35.8 m-80 -70.87 -32.57 69.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' A' ' 113' ' ' ALA . 93.0 mm-40 -75.2 -65.55 0.87 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.524 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -42.1 128.33 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -51.99 -45.89 64.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.097 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.531 ' HA ' HG11 ' A' ' 56' ' ' VAL . 3.3 t 74.64 38.76 0.47 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.868 -179.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -154.09 84.85 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.455 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 126.71 13.65 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.714 2.276 . . . . 0.0 112.352 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.6 m -74.18 157.95 35.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 20.2 t -172.54 138.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.49 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.3 t -114.02 168.51 9.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.879 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 2' ' ' SER . 24.8 p -37.3 154.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.87 -135.9 9.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.473 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.3 m -144.73 132.57 21.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 m -69.26 78.1 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.21 66.06 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.472 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -92.68 21.51 5.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.805 0.335 . . . . 0.0 110.835 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.96 -2.07 19.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.131 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -106.67 23.41 14.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.5 p -83.91 144.29 29.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -39.47 -64.21 0.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.856 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -41.79 -40.43 2.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.909 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -74.45 -36.52 63.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.945 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 86.3 mt -65.39 -49.11 80.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.643 ' HA ' HD22 ' A' ' 26' ' ' LEU . 22.2 ptt180 -64.08 -41.32 97.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -73.44 -27.5 61.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.0 ttm180 -73.02 -39.52 65.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.552 ' CE1' HD22 ' A' ' 77' ' ' LEU . 78.6 m-85 -105.58 13.15 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.68 -21.13 66.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -72.62 -27.11 61.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.808 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.555 ' HB3' HD13 ' A' ' 108' ' ' ILE . 27.1 mt -54.18 152.03 11.96 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.648 0.737 . . . . 0.0 110.908 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -49.83 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.629 2.219 . . . . 0.0 112.315 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.719 ' O ' HD11 ' A' ' 108' ' ' ILE . . . -69.17 -177.82 17.1 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -104.66 132.95 50.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.881 0.372 . . . . 0.0 110.904 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.643 HD22 ' HA ' ' A' ' 16' ' ' ARG . 6.1 tp -67.5 131.36 45.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.7 m-70 -132.81 95.21 3.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.83 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.575 HG21 ' HE3' ' A' ' 104' ' ' LYS . 37.6 mt -91.59 109.07 20.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.166 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.885 HD11 ' HG3' ' A' ' 70' ' ' MET . 29.5 pt -123.77 139.38 50.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -91.36 120.6 32.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.481 HD12 ' CD1' ' A' ' 105' ' ' LEU . 58.4 mt -117.5 131.69 56.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.43 120.64 33.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' HD3' HG22 ' A' ' 96' ' ' ILE . 14.6 mtmt -48.33 113.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 37' ' ' GLY . 0.7 OUTLIER -71.59 179.17 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.6 pttm -42.22 -28.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.949 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.433 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 1.7 t-20 -111.88 -14.87 13.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.496 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 97.32 169.31 33.09 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.498 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.733 HD13 HD11 ' A' ' 105' ' ' LEU . 11.9 mt -48.41 121.35 4.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.92 0.391 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.407 ' C ' ' HG ' ' A' ' 40' ' ' LEU . . . -110.6 113.21 3.44 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.456 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.495 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.6 mt -148.83 138.94 22.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.809 0.337 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.2 m -88.47 101.81 14.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.5 mt -89.73 153.86 20.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.93 122.69 4.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -56.72 138.31 47.1 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.523 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.441 ' C ' ' O ' ' A' ' 44' ' ' GLY . 28.8 t-20 -34.87 149.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.854 0.359 . . . . 0.0 110.916 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.719 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 61.2 mttm -46.74 -42.51 16.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -87.54 121.87 30.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -56.5 -48.33 77.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.1 m -48.17 -28.78 3.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.833 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.9 mmt-85 -73.4 155.09 39.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.3 tpt -135.0 93.28 2.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -160.6 162.41 32.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 18.0 mt -113.09 133.86 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.533 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 67.1 m-85 -132.08 163.24 28.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 54.2 t -109.25 106.47 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.867 HG11 ' O ' ' A' ' 118' ' ' ALA . 14.1 m -100.96 5.41 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -173.26 149.77 11.52 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.419 HG13 ' CD1' ' A' ' 72' ' ' ILE . 81.4 mt -132.43 103.63 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.875 0.369 . . . . 0.0 111.137 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 23.8 t30 -44.65 121.45 4.32 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.601 0.715 . . . . 0.0 110.922 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -11.44 30.82 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.681 2.254 . . . . 0.0 112.334 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -100.45 -17.2 17.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.7 175.62 54.95 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.494 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -38.14 8.32 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.495 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -51.64 -32.59 29.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.072 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.42 -35.1 58.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.98 -45.05 93.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -62.76 -52.47 63.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.844 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.26 -15.65 57.8 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.476 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.78 -40.51 88.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.89 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.885 ' HG3' HD11 ' A' ' 29' ' ' ILE . 5.5 mtp -72.03 136.36 46.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.9 mmm-85 -132.93 171.04 14.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.419 ' CD1' HG13 ' A' ' 58' ' ' ILE . 5.9 mm -74.42 120.2 23.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.13 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.7 -16.54 6.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.468 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.541 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.3 m-20 -54.12 153.66 4.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.75 0.309 . . . . 0.0 110.886 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -126.0 95.5 4.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 85.8 mt -51.05 128.21 21.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.552 HD22 ' CE1' ' A' ' 19' ' ' TYR . 12.2 mt -109.03 -44.12 4.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -146.61 154.73 41.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.543 HG12 HD23 ' A' ' 105' ' ' LEU . 89.1 mt -150.86 143.07 16.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.462 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 15.7 t-20 35.1 50.03 0.46 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 2.9 m120 58.04 54.27 6.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -156.9 105.24 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.3 mt -64.87 129.18 28.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.519 HD11 HD12 ' A' ' 79' ' ' ILE . 9.1 mt -97.43 -30.67 12.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.429 ' C ' ' O ' ' A' ' 84' ' ' LEU . 48.2 t80 -36.12 100.04 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 109.98 26.55 4.92 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.462 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -135.83 -176.19 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.822 0.344 . . . . 0.0 110.875 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -101.71 142.93 32.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.8 p80 -50.01 -27.03 4.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -61.91 -33.18 73.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -68.8 -54.37 16.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -37.94 -57.64 1.01 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 47.4 t -51.77 -42.14 62.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.38 -44.42 94.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.076 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.496 HD12 ' CD2' ' A' ' 84' ' ' LEU . 92.7 mt -59.73 -42.69 89.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.438 HG22 ' HD3' ' A' ' 33' ' ' LYS . 66.5 mt -64.57 -45.41 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.158 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -53.16 -44.81 68.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 72.9 p -73.86 -26.49 60.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.153 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.21 153.57 94.42 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 0.0 111.106 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.462 ' HD2' ' ND2' ' A' ' 80' ' ' ASN . 54.2 Cg_endo -69.79 171.49 14.4 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.704 2.269 . . . . 0.0 112.331 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 1.9 m -40.66 -59.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.2 ttmt -81.63 113.43 19.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.3 t -122.32 148.76 25.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.575 ' HE3' HG21 ' A' ' 28' ' ' ILE . 79.4 tttt -103.25 130.78 50.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.733 HD11 HD13 ' A' ' 38' ' ' LEU . 9.8 mt -120.58 120.08 34.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.926 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.528 HG22 HG12 ' A' ' 28' ' ' ILE . 96.1 t -112.13 102.48 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.122 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.556 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 31.2 p90 -128.94 172.99 10.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.719 HD11 ' O ' ' A' ' 24' ' ' GLY . 8.0 tt -120.47 134.76 62.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -92.7 83.39 4.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -102.18 113.8 27.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.76 ' O ' HG22 ' A' ' 114' ' ' VAL . 16.5 pt-20 -52.61 -33.56 46.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.14 -26.57 64.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -49.91 -53.64 24.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.089 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.4 m -41.9 -29.18 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 69.2 m-80 -84.36 -43.09 15.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 58.4 mt-30 -68.1 -61.24 1.95 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.533 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 13.3 ptt? -46.64 152.46 0.47 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.867 ' O ' HG11 ' A' ' 56' ' ' VAL . . . -98.22 154.18 17.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.093 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -117.35 122.34 43.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 127.95 79.9 0.28 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 143.64 51.72 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.686 2.257 . . . . 0.0 112.415 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.2 t -163.55 168.25 20.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.879 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 11.3 t -70.8 116.23 10.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -126.47 164.18 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.84 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m 55.85 41.88 29.6 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.859 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.61 51.29 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -46.52 131.53 11.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.865 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -76.25 100.95 5.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.95 -26.12 0.2 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.466 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -87.5 30.69 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.761 0.315 . . . . 0.0 110.854 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.82 -7.59 59.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -100.86 15.69 27.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 12' ' ' ASP . 23.8 p -81.36 138.29 35.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 15' ' ' ILE . 1.8 t70 -37.5 -62.69 0.51 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' ASP . 15.6 pt20 -38.13 -40.2 0.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 30.7 mmtt -79.8 -36.84 36.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.707 HG21 HG11 ' A' ' 106' ' ' VAL . 77.6 mt -62.98 -49.72 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.749 ' HA ' HD22 ' A' ' 26' ' ' LEU . 12.1 ptt85 -59.84 -43.62 94.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 -73.57 -27.91 61.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.6 ttm-85 -71.73 -42.77 66.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -104.49 17.97 23.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.548 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -66.56 -21.41 66.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.098 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -68.21 -31.81 71.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.457 ' HB3' HD13 ' A' ' 108' ' ' ILE . 33.8 mt -50.58 151.67 3.89 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.617 0.722 . . . . 0.0 110.893 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -49.32 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.254 . . . . 0.0 112.329 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.76 -157.06 0.22 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.531 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -127.98 130.27 48.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.94 0.4 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.749 HD22 ' HA ' ' A' ' 16' ' ' ARG . 6.1 tp -66.58 129.23 39.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -133.73 102.5 5.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.852 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.745 HG21 ' HE3' ' A' ' 104' ' ' LYS . 33.7 mt -94.9 111.05 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.859 HD12 HD21 ' A' ' 31' ' ' LEU . 29.3 pt -121.19 143.64 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -98.91 116.98 32.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.859 HD21 HD12 ' A' ' 29' ' ' ILE . 16.8 mt -118.39 123.01 44.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.971 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 33' ' ' LYS . 8.6 tt0 -83.37 111.14 18.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 32' ' ' GLU . 6.1 mtmp? -35.05 122.63 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.5 t70 -80.23 178.37 8.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.865 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.8 mtpt -36.49 -32.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.45 ' N ' ' O ' ' A' ' 34' ' ' ASP . 6.5 m-80 -108.81 -36.01 6.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.853 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.0 -171.99 18.56 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.516 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.698 HD23 ' HG3' ' A' ' 63' ' ' PRO . 14.6 mt -69.35 85.08 0.4 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.857 0.361 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -72.55 106.75 2.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 38.6 mt -144.78 133.88 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.328 . . . . 0.0 110.926 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.1 m -83.31 115.19 21.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 35.9 mt -106.62 144.17 33.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.94 118.99 6.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.421 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -45.27 160.14 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.466 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.1 t-20 -59.98 144.96 47.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.832 0.348 . . . . 0.0 110.943 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 44.8 mttm -37.0 -49.42 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -85.4 108.76 18.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.821 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.415 ' O ' ' C ' ' A' ' 49' ' ' SER . 7.4 tpt180 -46.46 -53.01 11.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' ARG . 17.5 m -37.3 -38.54 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -80.95 143.68 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.7 tpt -117.56 95.09 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.6 m -148.73 145.49 27.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.491 HD13 ' HB2' ' A' ' 92' ' ' ALA . 45.0 mt -101.96 139.82 22.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.54 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 79.9 m-85 -136.4 176.27 8.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.545 HG21 ' CE ' ' A' ' 70' ' ' MET . 84.5 t -120.32 105.96 17.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.601 ' HA ' ' HE3' ' A' ' 117' ' ' MET . 5.2 m -102.81 9.44 8.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.124 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -174.39 153.79 17.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.4 mt -134.68 97.62 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.838 0.352 . . . . 0.0 111.152 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -43.48 122.2 3.45 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.598 0.714 . . . . 0.0 110.862 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.49 18.75 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.731 2.287 . . . . 0.0 112.309 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -101.28 -15.65 17.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -83.36 179.55 52.6 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.538 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.698 ' HG3' HD23 ' A' ' 38' ' ' LEU . 54.2 Cg_endo -69.8 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.38 -36.22 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -76.37 -39.94 52.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.13 -47.44 77.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -61.01 -41.37 96.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.85 41.83 27.17 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.499 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -117.08 -60.05 1.88 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.711 ' HG3' HD11 ' A' ' 29' ' ' ILE . 8.4 mtp -57.54 151.39 16.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 73.1 mtt-85 -139.26 176.47 8.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 6.2 mm -81.64 118.6 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.077 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.59 -21.24 6.37 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.485 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -53.23 158.35 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.738 0.304 . . . . 0.0 110.913 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.501 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 33.8 tt0 -130.29 98.27 4.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.722 HD13 HD11 ' A' ' 79' ' ' ILE . 95.1 mt -51.74 131.36 30.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.923 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 18.2 mt -113.08 -40.42 3.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -147.34 150.59 35.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.722 HD11 HD13 ' A' ' 76' ' ' LEU . 41.1 mt -149.83 131.36 5.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 49.3 38.59 14.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 67.58 49.93 0.95 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.479 ' NE2' HG23 ' A' ' 95' ' ' ILE . 38.0 mt-30 -150.89 105.27 3.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.3 mt -64.23 125.7 21.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 86' ' ' GLY . 11.9 mt -94.39 -26.06 16.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -40.14 94.14 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.919 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 114.69 30.1 2.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -140.7 174.45 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 0.0 110.85 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 28.6 p -92.49 141.8 28.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.471 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 22.3 p80 -48.03 -41.27 25.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.471 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 80.0 mt-30 -51.33 -36.93 45.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -68.71 -47.86 65.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.491 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -43.35 -55.12 4.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 10.4 t -52.46 -41.03 62.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.92 87.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.479 HG23 ' NE2' ' A' ' 82' ' ' GLN . 82.7 mt -58.66 -43.06 86.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.145 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.422 HD13 HD12 ' A' ' 38' ' ' LEU . 86.0 mt -63.79 -44.51 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -53.53 -43.77 68.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 82.1 p -75.07 -27.18 59.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.14 150.94 97.63 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 111.105 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.8 Cg_endo -69.74 168.6 21.06 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 100' ' ' PRO . 2.1 m -34.89 -59.1 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -82.64 119.05 23.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.859 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.0 t -127.03 133.5 68.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.119 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.745 ' HE3' HG21 ' A' ' 28' ' ' ILE . 14.1 tttp -87.29 119.96 28.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.808 ' CD1' HD12 ' A' ' 31' ' ' LEU . 6.6 mt -109.38 121.6 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.913 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.707 HG11 HG21 ' A' ' 15' ' ' ILE . 89.3 t -114.01 103.56 15.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.16 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.562 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 33.5 p90 -130.64 179.67 5.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.457 HD13 ' HB3' ' A' ' 22' ' ' LEU . 10.1 tt -123.56 133.56 68.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.134 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.0 tpp85 -90.91 89.43 7.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 112' ' ' ASP . 24.8 t-20 -115.47 107.41 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.86 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.895 ' O ' HG22 ' A' ' 114' ' ' VAL . 14.3 pt-20 -51.31 -39.0 55.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 30.8 t0 -62.15 -28.37 69.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -51.46 -43.77 62.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.895 HG22 ' O ' ' A' ' 111' ' ' GLU . 35.0 m -41.92 -34.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -82.71 -41.79 18.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.871 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -61.37 -63.64 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.601 ' HE3' ' HA ' ' A' ' 56' ' ' VAL . 22.6 ptt? -48.9 145.89 3.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.6 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -83.18 171.09 14.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 78.1 p -119.26 118.98 32.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 132.46 85.58 0.29 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.41 3.56 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.71 2.274 . . . . 0.0 112.299 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 3.7 t -99.83 37.64 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.5 t -51.43 140.8 16.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.884 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.471 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.2 t -151.77 157.93 42.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.925 0.393 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 m -99.14 170.73 8.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 55.36 55.94 25.96 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.8 p -48.01 112.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.85 0.357 . . . . 0.0 110.845 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -158.86 111.26 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.35 75.5 0.29 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -94.91 36.56 1.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.88 -5.46 58.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.55 ' O ' HD11 ' A' ' 15' ' ' ILE . 94.5 m-85 -106.57 16.63 24.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 12' ' ' ASP . 20.9 p -72.78 135.96 45.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.8 OUTLIER -34.33 -49.91 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 179.941 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -52.11 -50.65 61.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.6 mmtm -70.34 -30.65 67.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.826 HG22 HD21 ' A' ' 26' ' ' LEU . 73.0 mt -65.13 -47.27 88.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.172 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.781 ' HA ' HD22 ' A' ' 26' ' ' LEU . 6.5 ptm180 -68.37 -36.62 79.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -76.63 -28.52 56.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 -68.87 -45.0 72.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.595 ' HB2' HD13 ' A' ' 26' ' ' LEU . 98.5 m-85 -103.53 16.91 25.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.574 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.99 -18.17 64.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.139 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -73.25 -27.77 61.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.433 ' HB3' HD13 ' A' ' 108' ' ' ILE . 30.3 mt -56.29 151.62 26.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.553 0.692 . . . . 0.0 110.937 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -49.65 0.54 Allowed 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.55 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -65.87 -173.64 4.81 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -108.27 119.27 39.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.362 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.826 HD21 HG22 ' A' ' 15' ' ' ILE . 5.1 tp -60.63 128.43 36.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -127.01 109.71 12.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.6 mt -99.31 99.6 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.821 HD11 ' HG3' ' A' ' 70' ' ' MET . 23.5 pt -116.11 138.88 45.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -100.56 118.01 35.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.61 HD13 ' HA ' ' A' ' 64' ' ' ALA . 33.3 mt -114.75 125.91 54.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -81.75 110.29 16.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.626 ' NZ ' HG21 ' A' ' 103' ' ' VAL . 16.2 mtmm -45.66 129.36 8.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.91 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' O ' ' C ' ' A' ' 35' ' ' LYS . 23.4 t0 -89.78 175.75 7.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.858 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.446 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -34.23 -40.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -93.01 -40.98 10.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 124.09 178.41 15.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.614 HD13 HD11 ' A' ' 105' ' ' LEU . 28.7 mt -43.29 -49.54 6.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 56.57 86.82 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.508 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.3 mt -135.97 139.45 43.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.954 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.411 ' HB2' ' CA ' ' A' ' 57' ' ' GLY . 52.0 m -84.23 116.22 22.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 41.2 mt -106.88 153.55 22.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.88 112.18 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.077 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.44 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -44.0 133.61 6.33 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.5 t-20 -34.45 137.45 0.12 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 11.6 mtpp -33.68 -52.57 0.41 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.899 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' HB3' ' CG ' ' A' ' 50' ' ' ARG . 7.7 t0 -75.68 127.07 32.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 23.3 ttm180 -59.47 -45.42 91.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 6.2 m -64.04 -16.66 62.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' CG ' ' HB3' ' A' ' 47' ' ' ASP . 8.3 mmt180 -86.15 97.17 10.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.2 tpp -78.73 100.06 6.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 p -166.43 151.63 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 89' ' ' HIS . 66.3 mt -109.92 135.26 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 66.9 m-85 -125.87 165.6 18.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.446 HG21 ' CE ' ' A' ' 70' ' ' MET . 87.5 t -105.17 104.86 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.116 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.472 HG12 ' SD ' ' A' ' 117' ' ' MET . 9.2 m -104.42 20.62 3.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.411 ' CA ' ' HB2' ' A' ' 41' ' ' SER . . . 170.27 151.99 7.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 96.6 mt -135.66 110.54 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -46.72 122.26 7.04 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.617 0.723 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.5 18.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.643 2.229 . . . . 0.0 112.384 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -104.95 -21.58 13.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.45 175.7 52.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.443 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.71 -35.94 11.86 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.699 2.266 . . . . 0.0 112.366 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.61 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -52.64 -30.54 32.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.095 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.49 -35.7 19.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -66.52 -53.32 36.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -55.73 -34.76 65.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.85 42.24 79.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.536 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.459 ' HB2' HD12 ' A' ' 29' ' ' ILE . 2.9 mmp_? -117.81 -58.18 2.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.785 0.326 . . . . 0.0 110.865 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.821 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.2 mtp -61.71 149.2 40.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -138.93 174.99 9.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.442 HG23 ' HA ' ' A' ' 56' ' ' VAL . 5.1 mm -81.12 120.64 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 55' ' ' VAL . . . 125.01 -19.83 6.81 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.447 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.553 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 69.3 m-20 -59.45 130.68 48.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.777 0.322 . . . . 0.0 110.881 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 43.1 tt0 -98.37 92.65 5.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.609 HD13 HD11 ' A' ' 79' ' ' ILE . 75.9 mt -44.1 136.36 3.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.454 HD13 ' CG ' ' A' ' 19' ' ' TYR . 19.7 mt -119.38 -34.84 3.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -151.86 153.32 33.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.609 HD11 HD13 ' A' ' 76' ' ' LEU . 52.3 mt -152.08 129.63 2.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.165 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.576 ' HB2' HG13 ' A' ' 103' ' ' VAL . 16.3 t-20 49.59 32.52 5.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 12.7 m-80 74.81 44.88 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -144.06 105.4 4.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 39.1 mt -64.44 123.79 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.463 HD11 ' CD1' ' A' ' 79' ' ' ILE . 14.9 mt -93.87 -26.83 16.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.5 t80 -41.95 94.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 119.45 13.42 6.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.494 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.2 mtt-85 -131.44 162.07 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.835 0.35 . . . . 0.0 110.906 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.9 t -80.51 154.4 27.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 53' ' ' ILE . 27.4 p80 -54.42 -42.22 70.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -49.41 -41.89 40.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -63.24 -48.3 78.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.93 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.413 ' HA ' HD12 ' A' ' 95' ' ' ILE . . . -44.97 -58.4 3.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.068 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.4 p -47.05 -47.03 22.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -51.69 -45.88 63.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.123 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.413 HD12 ' HA ' ' A' ' 92' ' ' ALA . 56.7 mt -57.35 -45.94 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.476 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 95.4 mt -61.54 -47.02 95.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.8 ttmm -52.63 -36.61 56.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.1 p -87.9 -23.08 24.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -70.04 148.97 96.29 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.544 0.688 . . . . 0.0 111.118 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 178.47 4.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.387 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 m -50.19 -63.82 1.0 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.3 ttmt -73.69 107.99 6.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.626 HG21 ' NZ ' ' A' ' 33' ' ' LYS . 17.3 t -123.47 144.56 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.435 ' HD3' ' CG2' ' A' ' 106' ' ' VAL . 5.4 ttmt -98.46 120.56 39.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.614 HD11 HD13 ' A' ' 38' ' ' LEU . 10.3 mt -106.48 99.86 9.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.435 ' CG2' ' HD3' ' A' ' 104' ' ' LYS . 60.5 t -92.14 108.47 20.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.12 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.553 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 53.1 p90 -135.33 -176.3 4.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.55 HD11 ' C ' ' A' ' 24' ' ' GLY . 5.9 tt -122.79 135.8 61.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 30.1 ttt-85 -95.45 111.58 23.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.852 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 111' ' ' GLU . 55.8 t-20 -145.31 147.79 32.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.717 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.9 pt-20 -84.0 -29.89 26.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -74.08 -22.58 59.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.07 -47.0 65.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.717 HG22 ' O ' ' A' ' 111' ' ' GLU . 31.0 m -51.49 -22.26 2.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 -88.33 -23.13 23.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -91.48 -30.16 16.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.539 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -75.87 141.67 42.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.478 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -74.61 -175.0 2.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.079 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 94.3 p -145.1 114.35 7.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 130.55 84.77 0.34 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 2.8 3.2 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.695 2.263 . . . . 0.0 112.329 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.4 t -103.88 87.28 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.892 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 96.7 p -66.83 -46.82 73.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.8 t -52.9 -56.31 16.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.896 0.379 . . . . 0.0 110.857 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.5 t -87.0 132.61 33.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.84 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.76 77.42 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.504 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -70.82 98.09 1.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.372 . . . . 0.0 110.844 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -71.94 -45.25 61.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -117.68 84.85 0.38 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.551 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -93.43 21.14 6.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.931 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.98 1.23 7.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -109.83 18.6 19.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 11.8 p -75.64 144.42 41.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.189 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -43.44 -57.15 3.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -45.63 -35.33 4.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -81.01 -36.13 31.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.484 HG22 HD21 ' A' ' 26' ' ' LEU . 77.7 mt -64.18 -45.77 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.083 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.673 ' HA ' HD22 ' A' ' 26' ' ' LEU . 24.4 ptt180 -67.54 -42.32 82.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -71.4 -31.18 66.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -70.03 -41.54 74.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.844 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.496 ' CE1' HD22 ' A' ' 77' ' ' LEU . 93.8 m-85 -104.17 14.82 29.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -65.9 -20.88 66.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.127 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -70.82 -32.63 69.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.424 ' HB3' HD13 ' A' ' 108' ' ' ILE . 32.5 mt -50.84 149.55 6.12 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.629 0.728 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.452 ' HG2' ' ND2' ' A' ' 110' ' ' ASN . 53.6 Cg_endo -69.74 -49.92 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.675 2.25 . . . . 0.0 112.32 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.39 -162.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.489 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -121.9 125.0 45.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.883 0.373 . . . . 0.0 110.92 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.673 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.2 tp -62.33 125.99 25.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 -128.08 101.88 6.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.512 HG12 HG22 ' A' ' 106' ' ' VAL . 53.4 mt -97.04 110.29 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.149 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.475 ' HB ' ' CZ ' ' A' ' 69' ' ' ARG . 11.5 pt -130.27 148.25 33.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.85 ' O ' HD23 ' A' ' 31' ' ' LEU . 13.9 mp0 -104.07 146.19 29.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.85 HD23 ' O ' ' A' ' 30' ' ' GLU . 23.0 mt -141.62 120.97 13.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -73.13 111.37 8.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -40.23 123.61 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.3 t0 -80.75 178.57 8.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.9 tptt -37.53 -28.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.483 ' N ' ' O ' ' A' ' 34' ' ' ASP . 10.4 m120 -113.93 -20.2 11.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 105.95 -166.78 14.16 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.492 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.428 HD23 ' HG3' ' A' ' 63' ' ' PRO . 9.5 mt -68.98 107.98 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.901 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -95.92 108.35 3.66 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.421 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.468 ' CD2' HG12 ' A' ' 58' ' ' ILE . 15.7 mt -148.11 137.34 22.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.819 0.342 . . . . 0.0 110.926 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 m -88.0 108.56 19.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 24.0 mt -96.16 152.72 18.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.85 127.15 9.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -53.52 159.98 3.94 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.533 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -65.34 135.39 55.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.918 0.39 . . . . 0.0 110.9 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' CD ' ' O ' ' A' ' 116' ' ' GLN . 14.5 mtpp -39.56 -43.24 1.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.903 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -87.56 108.5 19.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.854 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 49' ' ' SER . 11.2 ttm-85 -47.61 -57.24 5.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 48' ' ' ARG . 17.6 m -36.44 -37.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -85.9 154.86 21.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.7 tpp -131.15 101.71 5.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -148.78 150.77 33.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.434 HD13 ' HB2' ' A' ' 92' ' ' ALA . 30.3 mt -111.8 127.78 68.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.478 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 70.8 m-85 -121.08 174.51 6.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.603 HG21 ' CE ' ' A' ' 70' ' ' MET . 98.9 t -117.66 95.04 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.686 HG11 ' HA ' ' A' ' 119' ' ' SER . 10.1 m -94.56 23.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.75 147.82 6.0 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.468 HG12 ' CD2' ' A' ' 40' ' ' LEU . 92.3 mt -131.54 101.26 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.803 0.335 . . . . 0.0 111.14 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 36.2 t30 -44.02 122.11 3.91 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -14.99 36.92 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.692 2.261 . . . . 0.0 112.38 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -93.15 -23.93 18.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.99 179.57 49.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.428 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.8 Cg_endo -69.76 -47.51 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 0.0 112.331 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.517 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -42.21 -32.24 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -83.93 -36.18 23.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.2 -53.48 48.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.032 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.9 t0 -56.8 -39.92 75.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.59 41.66 28.92 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.475 ' CZ ' ' HB ' ' A' ' 29' ' ' ILE . 24.0 mtm180 -118.98 -63.88 1.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.795 0.331 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.603 ' CE ' HG21 ' A' ' 55' ' ' VAL . 3.7 mtp -50.43 140.42 13.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -131.29 171.31 13.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.435 HG23 ' HA ' ' A' ' 56' ' ' VAL . 7.2 mm -76.17 128.68 37.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 115.5 -23.66 10.97 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.486 ' OD1' ' CE1' ' A' ' 107' ' ' PHE . 46.2 m-20 -53.74 136.59 39.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.813 0.339 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.424 ' OE2' ' CE1' ' A' ' 54' ' ' PHE . 40.7 tt0 -107.88 103.11 12.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 76.2 mt -56.12 139.31 47.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' A' ' 19' ' ' TYR . 15.2 mt -122.58 -39.06 2.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.8 mt-10 -146.68 150.08 34.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.601 HG12 HD23 ' A' ' 105' ' ' LEU . 60.7 mt -149.96 113.17 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 64.75 46.01 3.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 62.16 43.88 8.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 -144.81 117.84 8.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.8 mt -75.19 126.84 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.52 ' CD2' HD12 ' A' ' 95' ' ' ILE . 10.7 mt -98.99 -24.92 14.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.92 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -40.81 99.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 110.26 31.33 3.09 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 70.5 mtt-85 -144.39 154.17 42.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.829 0.347 . . . . 0.0 110.854 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.7 t -70.97 139.78 50.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.558 ' CE1' ' HG3' ' A' ' 90' ' ' GLN . 20.0 p80 -41.06 -50.38 3.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.558 ' HG3' ' CE1' ' A' ' 89' ' ' HIS . 48.9 mt-30 -42.84 -42.15 3.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.422 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 6.5 m120 -58.42 -55.56 33.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.434 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -40.87 -59.61 1.38 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.0 t -47.79 -45.96 29.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -51.55 -50.15 60.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.134 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.52 HD12 ' CD2' ' A' ' 84' ' ' LEU . 67.6 mt -55.44 -39.91 55.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.7 mt -65.23 -46.38 90.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm -51.54 -45.39 62.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.0 p -77.5 -19.14 56.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.97 152.48 92.92 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.075 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 101' ' ' SER . 54.0 Cg_endo -69.78 166.7 26.73 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.362 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' PRO . 66.5 m -35.11 -57.42 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -82.06 122.04 27.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.888 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.1 t -129.14 128.84 67.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -84.92 120.92 27.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.601 HD23 HG12 ' A' ' 79' ' ' ILE . 7.1 mt -107.97 123.59 48.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.512 HG22 HG12 ' A' ' 28' ' ' ILE . 92.3 t -115.02 102.82 14.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.145 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 23.6 p90 -130.14 171.11 13.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.424 HD13 ' HB3' ' A' ' 22' ' ' LEU . 11.9 tt -116.67 138.26 47.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.181 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.4 tpp85 -95.35 94.81 8.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' ' 23' ' ' PRO . 59.7 t-20 -119.75 123.56 44.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 114' ' ' VAL . 3.2 tp10 -65.38 -11.23 40.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -96.23 -18.68 19.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -70.43 -18.19 63.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.3 m -73.32 -15.54 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.11 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -104.51 -19.48 14.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.452 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 75.0 mt-30 -79.52 -33.32 42.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.961 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.678 ' SD ' HG12 ' A' ' 56' ' ' VAL . 22.9 ptt? -72.59 125.99 28.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.73 -38.77 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.686 ' HA ' HG11 ' A' ' 56' ' ' VAL . 8.5 t 61.9 40.93 12.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -154.49 83.65 0.15 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.46 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 91.79 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.672 2.248 . . . . 0.0 112.359 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.7 m -95.91 147.73 23.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 6.2 m -60.66 175.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.537 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.0 p -67.97 140.78 56.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 0.0 110.85 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -46.81 -53.62 11.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 94.25 -49.54 2.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -107.73 115.34 29.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.914 0.388 . . . . 0.0 110.873 -179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -123.53 127.55 48.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.869 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.04 78.84 0.3 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -91.91 18.15 8.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.766 0.317 . . . . 0.0 110.83 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.77 -10.37 52.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.43 ' O ' HD11 ' A' ' 15' ' ' ILE . 97.2 m-85 -102.5 -0.26 32.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.434 ' O ' ' C ' ' A' ' 12' ' ' ASP . 33.1 p -60.49 135.26 57.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.127 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.471 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.2 OUTLIER -34.85 -62.16 0.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -40.32 -47.8 2.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt -68.67 -33.28 73.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.471 HD12 ' HA ' ' A' ' 12' ' ' ASP . 93.8 mt -66.52 -52.02 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.125 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.806 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 13.5 ptm180 -61.95 -29.78 70.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -83.12 -33.34 26.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 29.1 ttm-85 -66.45 -45.89 78.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.679 ' CE1' HD22 ' A' ' 77' ' ' LEU . 85.0 m-85 -99.13 14.08 30.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -68.88 -7.36 33.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -86.6 -19.61 29.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.827 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.42 151.53 91.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.612 0.72 . . . . 0.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.668 2.245 . . . . 0.0 112.359 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.624 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -60.99 -169.81 0.6 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.523 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -113.22 132.34 55.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.38 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.627 HD22 ' HA ' ' A' ' 16' ' ' ARG . 5.0 tp -75.42 129.89 38.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 54.4 m-70 -134.19 110.47 9.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.499 HG12 HG22 ' A' ' 106' ' ' VAL . 52.0 mt -100.59 111.53 30.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.925 HD11 ' HG3' ' A' ' 70' ' ' MET . 18.4 pt -123.07 149.01 26.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -110.22 111.8 23.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.465 HD13 ' HA ' ' A' ' 64' ' ' ALA . 20.7 mt -109.1 129.26 55.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.905 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -83.8 112.58 20.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.8 mtmp? -39.16 132.17 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 37' ' ' GLY . 17.2 t70 -91.1 174.48 7.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 7.0 ttmm -34.25 -39.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -99.52 -27.64 13.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.474 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 124.19 -169.12 16.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.578 HD13 HD11 ' A' ' 105' ' ' LEU . 12.1 mt -55.93 -49.21 74.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 59.3 88.46 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.5 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' CD2' HG12 ' A' ' 58' ' ' ILE . 18.8 mt -142.5 136.55 29.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.91 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -83.6 128.59 34.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.4 mt -120.33 146.84 45.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -150.95 120.41 6.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.125 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.21 158.44 3.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.524 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -56.61 147.36 22.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.872 0.368 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' CE ' ' O ' ' A' ' 115' ' ' ASN . 38.5 mttm -37.77 -44.87 0.77 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -93.7 111.63 23.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 50' ' ' ARG . 44.5 ttt180 -48.48 -54.83 12.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 48' ' ' ARG . 46.6 m -35.47 -33.83 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 48' ' ' ARG . 7.5 mtp85 -84.53 134.13 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.5 tpt -104.03 97.22 7.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.1 m -153.27 140.03 19.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 28.2 mt -108.85 134.21 51.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.113 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.508 ' CD2' ' HB3' ' A' ' 117' ' ' MET . 91.0 m-85 -124.75 -176.83 3.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.712 HG21 ' HE1' ' A' ' 70' ' ' MET . 61.2 t -124.24 94.48 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.118 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.625 HG11 ' HA ' ' A' ' 119' ' ' SER . 13.3 m -97.66 23.76 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.19 144.51 5.0 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.443 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.424 HG12 ' CD2' ' A' ' 40' ' ' LEU . 97.2 mt -132.46 103.43 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 0.0 111.113 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 16.2 t30 -39.19 119.0 1.19 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.628 0.728 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 -9.13 25.34 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -105.21 -8.24 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.23 179.81 46.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.514 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.474 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.5 Cg_endo -69.78 -44.97 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.465 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -49.89 -24.61 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -87.44 -29.82 21.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.104 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -79.19 -34.2 43.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.18 -31.18 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 65.02 32.92 85.77 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.541 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -107.81 -54.51 2.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.79 0.329 . . . . 0.0 110.852 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.925 ' HG3' HD11 ' A' ' 29' ' ' ILE . 8.6 mtp -68.17 138.59 55.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -130.97 169.84 15.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.879 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.516 HG23 ' HA ' ' A' ' 56' ' ' VAL . 4.6 mm -74.37 118.36 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.58 -11.27 6.72 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -65.03 147.44 53.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.744 0.307 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -116.73 102.33 9.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 87.7 mt -56.75 124.54 18.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.679 HD22 ' CE1' ' A' ' 19' ' ' TYR . 34.5 mt -108.34 -38.28 5.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.924 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -151.36 152.69 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.872 HG12 HD23 ' A' ' 105' ' ' LEU . 45.0 mt -150.5 136.75 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.179 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.409 ' C ' ' O ' ' A' ' 79' ' ' ILE . 10.3 t-20 37.28 47.08 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 3.5 m120 63.18 53.31 2.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 56.5 mt-30 -155.88 106.92 2.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.564 HG22 ' H ' ' A' ' 85' ' ' TYR . 55.5 mt -59.17 144.9 11.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.584 HD11 HD12 ' A' ' 79' ' ' ILE . 18.9 mt -128.46 9.07 6.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.6 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 53.7 t80 -77.82 9.35 3.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -150.43 21.86 1.07 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.534 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 57.9 mtt180 -131.93 165.14 24.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.846 0.355 . . . . 0.0 110.862 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.4 t -81.71 148.14 29.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -53.33 -21.92 6.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -67.76 -30.0 69.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.937 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -78.63 -35.67 45.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.97 -58.17 7.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t -51.03 -43.18 60.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -56.35 -49.74 73.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.076 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 62.6 mt -53.89 -42.6 54.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.105 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.1 mt -61.94 -47.87 91.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.108 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -53.55 -44.47 69.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 46.0 p -78.26 -14.73 59.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.15 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -79.13 150.7 74.91 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.623 0.725 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 172.2 13.06 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.673 2.249 . . . . 0.0 112.336 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 50.3 m -40.22 -67.44 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -73.8 111.43 8.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 43.7 t -118.87 132.02 69.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.12 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.425 ' HE3' HG21 ' A' ' 28' ' ' ILE . 22.6 tttt -90.77 121.04 32.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.872 HD23 HG12 ' A' ' 79' ' ' ILE . 5.9 mt -113.18 127.33 56.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.499 HG22 HG12 ' A' ' 28' ' ' ILE . 89.9 t -116.06 101.28 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.109 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 37.7 p90 -126.51 174.53 8.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.624 HD11 ' C ' ' A' ' 24' ' ' GLY . 4.6 tt -124.86 124.14 67.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.109 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.1 tpp85 -82.49 133.04 35.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -155.66 121.81 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 114' ' ' VAL . 55.7 tt0 -63.52 -11.3 23.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -95.19 -21.06 18.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.81 -32.67 74.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 111' ' ' GLU . 19.5 m -53.23 -21.73 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.455 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 70.0 m-80 -101.16 -31.92 10.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -59.72 -46.44 89.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.528 ' HE3' HG12 ' A' ' 56' ' ' VAL . 4.6 ptt? -66.49 148.35 52.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -57.04 -39.36 74.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.625 ' HA ' HG11 ' A' ' 56' ' ' VAL . 10.7 t 63.1 41.54 8.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -165.98 83.78 0.1 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.479 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 153.21 68.88 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.331 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.4 t -48.96 157.58 0.4 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.854 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 48.1 m -95.3 137.4 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.436 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.6 m -153.59 129.92 10.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.886 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -141.52 171.17 14.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.35 126.39 0.89 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -162.94 144.8 10.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.813 0.339 . . . . 0.0 110.884 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m 55.1 43.8 28.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.06 -27.88 2.36 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.574 ' O ' HG23 ' A' ' 11' ' ' THR . 2.9 m-20 -89.53 20.03 4.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.757 0.313 . . . . 0.0 110.873 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.96 0.3 7.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.083 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 47.0 m-85 -107.38 17.29 22.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 8' ' ' ASP . 80.3 p -82.76 146.22 29.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.168 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.44 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.1 OUTLIER -43.44 -47.86 7.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -55.63 -38.29 69.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.887 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -76.46 -38.11 55.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.718 HG21 HG11 ' A' ' 106' ' ' VAL . 62.4 mt -61.78 -53.24 50.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.091 179.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.704 ' HA ' HD22 ' A' ' 26' ' ' LEU . 36.0 ptt180 -60.42 -46.58 89.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.409 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 13.8 mt-30 -66.8 -32.52 73.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.928 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.483 ' HD3' ' CE2' ' A' ' 19' ' ' TYR . 8.7 ttt85 -66.61 -49.02 67.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.871 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.483 ' CE2' ' HD3' ' A' ' 18' ' ' ARG . 84.7 m-85 -100.06 13.67 33.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.864 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.7 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -64.24 -14.37 55.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.24 -26.77 42.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.858 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.1 mt -54.82 151.7 14.93 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.571 0.7 . . . . 0.0 110.886 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -49.68 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.43 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -64.32 -176.56 4.73 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.455 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -107.89 124.4 50.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.931 0.396 . . . . 0.0 110.838 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.704 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.9 tp -62.23 131.81 50.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -134.28 107.35 7.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.73 HG12 HG22 ' A' ' 106' ' ' VAL . 36.1 mt -100.29 109.29 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.665 HD12 HD21 ' A' ' 31' ' ' LEU . 30.7 pt -120.52 142.48 36.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 -95.66 114.57 26.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.665 HD21 HD12 ' A' ' 29' ' ' ILE . 76.0 mt -109.41 135.79 49.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -94.96 124.68 39.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HD3' HG22 ' A' ' 96' ' ' ILE . 20.9 mtmt -57.17 111.11 0.97 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.879 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 35' ' ' LYS . 71.0 m-20 -74.32 -178.91 3.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.832 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 34' ' ' ASP . 39.4 tttt -36.94 -38.27 0.18 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -104.39 -21.6 13.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.96 -154.65 16.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.452 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.588 HD13 HD11 ' A' ' 105' ' ' LEU . 17.7 mt -82.35 105.41 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -86.12 101.2 2.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.634 HD21 ' HB1' ' A' ' 64' ' ' ALA . 10.1 mt -143.23 136.74 28.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.788 0.328 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.9 m -94.57 113.59 25.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.824 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.1 mt -95.39 158.33 15.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.468 ' HB3' ' CG1' ' A' ' 56' ' ' VAL . . . -160.37 122.05 3.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.096 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.492 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -53.3 147.23 17.88 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.477 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 37.9 t-20 -50.02 147.43 3.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.905 0.383 . . . . 0.0 110.869 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.516 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 33.9 mttm -35.88 -45.54 0.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -96.96 117.17 30.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -51.07 -51.09 56.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.2 t -43.92 -24.89 0.16 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -91.81 97.87 11.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.3 tpt -75.19 96.24 3.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.1 m -154.16 149.23 26.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 25.5 mt -102.07 145.35 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.56 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 59.4 m-85 -145.24 155.74 43.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.464 HG21 ' CE ' ' A' ' 70' ' ' MET . 93.2 t -101.23 106.04 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 43' ' ' ALA . 6.5 m -101.23 9.15 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.159 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -178.71 146.41 7.3 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.555 HG12 HD23 ' A' ' 40' ' ' LEU . 98.3 mt -135.71 109.52 10.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 111.126 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.409 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 29.8 t30 -48.0 119.98 7.6 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.667 0.746 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -9.34 25.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -106.23 -7.91 17.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -87.86 176.54 45.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.429 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -37.29 9.48 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.662 2.241 . . . . 0.0 112.399 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.634 ' HB1' HD21 ' A' ' 40' ' ' LEU . . . -56.4 -28.71 60.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -87.4 -37.85 16.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -55.68 -59.42 4.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.109 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -48.95 -37.92 21.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 69.53 45.19 60.73 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.446 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.443 ' HB2' HD13 ' A' ' 29' ' ' ILE . 3.9 mmp_? -124.94 -35.95 2.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 0.0 110.89 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.663 ' HG3' HD11 ' A' ' 29' ' ' ILE . 9.3 mtp -86.42 121.99 29.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.498 ' N ' ' CD ' ' A' ' 71' ' ' ARG . 1.3 mpt_? -108.69 -174.96 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 12.6 mm -87.52 122.85 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.17 -25.26 6.75 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.47 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -49.01 145.19 4.15 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.771 0.319 . . . . 0.0 110.834 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 33.3 tt0 -114.93 100.78 8.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.607 HD13 HD11 ' A' ' 79' ' ' ILE . 90.0 mt -53.41 128.66 29.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.441 HD22 ' CE1' ' A' ' 19' ' ' TYR . 13.8 mt -109.94 -41.17 4.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.917 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -140.63 153.55 46.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.607 HD11 HD13 ' A' ' 76' ' ' LEU . 12.0 mt -152.72 116.06 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.408 ' HB2' HG13 ' A' ' 103' ' ' VAL . 21.3 t-20 56.39 50.26 13.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 59.95 50.38 6.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -154.54 111.25 3.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.93 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.5 mt -71.56 123.77 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.122 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.526 HD11 HG13 ' A' ' 79' ' ' ILE . 11.7 mt -93.16 -22.15 19.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -42.92 92.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 115.6 26.51 3.35 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.468 ' NH1' HD11 ' A' ' 95' ' ' ILE . 63.2 mtp180 -134.97 176.0 9.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.796 0.331 . . . . 0.0 110.841 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 99.0 p -88.52 137.83 31.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -48.86 -37.13 18.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -55.94 -36.57 67.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -65.91 -51.59 57.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.948 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -43.24 -55.15 4.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.081 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.1 m -54.19 -37.45 64.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -65.41 -45.6 83.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.076 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.468 HD11 ' NH1' ' A' ' 87' ' ' ARG . 98.5 mt -56.46 -38.69 57.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.119 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.58 HD13 HD12 ' A' ' 38' ' ' LEU . 96.4 mt -65.95 -46.79 87.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -52.73 -44.84 66.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.5 p -73.12 -26.44 61.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.132 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.61 154.04 93.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.593 0.711 . . . . 0.0 111.103 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.7 Cg_endo -69.76 170.49 16.45 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.352 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 100' ' ' PRO . 24.0 m -38.34 -64.08 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -78.46 117.36 19.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.408 HG13 ' HB2' ' A' ' 80' ' ' ASN . 18.5 t -124.83 136.96 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.421 ' HE3' HG21 ' A' ' 28' ' ' ILE . 48.4 tttt -93.6 119.12 32.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.892 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.588 HD11 HD13 ' A' ' 38' ' ' LEU . 7.0 mt -110.0 124.23 51.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.73 HG22 HG12 ' A' ' 28' ' ' ILE . 95.4 t -111.65 101.27 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.591 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 21.9 p90 -125.78 176.12 7.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.43 HD11 ' C ' ' A' ' 24' ' ' GLY . 6.1 tt -114.46 152.17 16.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.135 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.4 ttt-85 -109.34 102.42 11.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -135.41 109.81 8.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.571 ' O ' HG22 ' A' ' 114' ' ' VAL . 1.1 pm0 -60.46 -15.76 29.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.491 ' O ' ' ND2' ' A' ' 115' ' ' ASN . 88.0 m-20 -83.75 -30.66 26.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.41 ' HA ' ' NE2' ' A' ' 116' ' ' GLN . . . -48.9 -36.43 17.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.077 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.571 HG22 ' O ' ' A' ' 111' ' ' GLU . 25.4 m -41.83 -29.21 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.499 ' OD1' ' N ' ' A' ' 116' ' ' GLN . 5.0 p30 -88.22 -38.46 15.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.499 ' N ' ' OD1' ' A' ' 115' ' ' ASN . 37.9 mt-30 -65.81 -35.66 81.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.466 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -76.51 140.53 41.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.516 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -79.19 -177.07 5.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 86.2 p -134.98 95.5 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 158.3 91.14 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.516 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.7 3.3 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.36 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.5 m -127.28 142.45 51.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.832 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 63.0 m -144.04 152.33 40.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.0 m -99.69 106.93 18.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.0 p -41.11 -46.22 2.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.97 -150.15 0.49 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.527 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -134.07 170.29 15.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.838 0.351 . . . . 0.0 110.864 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.8 p -46.21 152.88 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.44 -24.92 0.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.527 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -84.34 37.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 110.864 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.61 3.64 55.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -118.23 10.34 12.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LYS . 80.6 p -76.84 143.02 40.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.157 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.89 -42.66 1.89 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.867 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -58.04 -38.73 76.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.965 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 11' ' ' THR . 56.4 mmtt -81.23 -32.71 33.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.676 HG21 HG11 ' A' ' 106' ' ' VAL . 76.3 mt -66.66 -45.8 87.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.752 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 32.5 ptt180 -65.83 -41.46 91.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.843 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -72.95 -33.91 66.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -69.07 -40.83 78.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.47 ' CG ' HD13 ' A' ' 77' ' ' LEU . 73.8 m-85 -104.9 14.12 30.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.932 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.752 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -67.71 -18.03 64.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -73.05 -29.7 63.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HB2' ' CD1' ' A' ' 108' ' ' ILE . 24.2 mt -54.69 151.67 14.54 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.65 0.738 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -49.6 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.331 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.15 -179.75 6.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -105.76 124.55 49.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.816 0.341 . . . . 0.0 110.867 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.667 HD22 ' HA ' ' A' ' 16' ' ' ARG . 10.9 tp -59.08 133.29 55.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -132.66 102.63 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.559 HG21 ' HE2' ' A' ' 104' ' ' LYS . 39.4 mt -97.96 110.91 26.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.155 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.938 HD11 ' HG3' ' A' ' 70' ' ' MET . 20.7 pt -129.76 138.02 55.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -94.55 115.03 27.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.539 HD12 ' CD1' ' A' ' 105' ' ' LEU . 48.1 mt -111.87 126.62 55.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -81.66 120.36 24.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 mtmp? -46.15 110.01 0.23 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 36' ' ' ASN . 24.0 t70 -67.58 175.18 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' ASP . 77.3 tttt -37.71 -28.41 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.488 ' N ' ' O ' ' A' ' 34' ' ' ASP . 21.0 m-20 -110.94 -24.78 10.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.452 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 110.31 -171.46 14.79 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' HG3' ' A' ' 63' ' ' PRO . 11.9 mt -69.35 91.55 0.55 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.31 111.29 3.45 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.8 mt -146.68 136.44 23.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.0 m -83.44 107.13 15.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.405 HD22 ' CG2' ' A' ' 53' ' ' ILE . 22.4 mt -97.61 135.65 39.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.976 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -139.32 117.37 11.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -49.01 135.12 22.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.45 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 32.1 t-20 -37.03 150.02 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.886 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 32.2 mttm -40.81 -48.98 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -88.21 127.63 35.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.826 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 1.4 ptt-85 -67.85 -21.97 65.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 t -71.37 -20.44 62.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 69.3 mtt180 -105.83 94.7 5.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.84 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.9 tpt -70.6 105.18 3.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.8 m -150.25 151.27 32.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.405 ' CG2' HD22 ' A' ' 42' ' ' LEU . 60.7 mt -110.74 128.06 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.11 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.519 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 69.7 m-85 -129.1 159.49 35.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.413 ' O ' HG23 ' A' ' 72' ' ' ILE . 88.7 t -101.92 96.15 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 3.5 m -93.17 11.2 3.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.93 151.72 11.49 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.416 HG13 ' CD1' ' A' ' 72' ' ' ILE . 85.2 mt -134.79 94.65 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.843 0.354 . . . . 0.0 111.126 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -47.12 124.98 8.73 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.609 0.719 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.5 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.3 Cg_endo -69.84 -5.27 15.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 0.0 112.31 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -93.73 -28.31 16.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.922 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.7 -178.85 50.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.451 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.553 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.2 Cg_endo -69.85 -49.57 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.663 2.242 . . . . 0.0 112.327 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -37.88 -40.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -68.95 -41.05 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -65.14 -38.47 90.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.078 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.443 ' OD2' HD12 ' A' ' 29' ' ' ILE . 9.7 t0 -64.75 -44.75 89.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.76 -13.82 22.03 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.459 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 38.1 mtt180 -72.5 -49.51 32.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.824 0.345 . . . . 0.0 110.864 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.938 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.1 mtp -65.38 134.85 54.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -130.84 173.85 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.416 ' CD1' HG13 ' A' ' 58' ' ' ILE . 6.1 mm -75.78 119.81 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.073 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.459 ' O ' ' HB1' ' A' ' 113' ' ' ALA . . . 129.16 -19.96 5.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.528 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.504 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.7 m-20 -58.4 152.28 18.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.73 0.3 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 29.8 tt0 -125.57 105.7 9.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.726 HD13 HD11 ' A' ' 79' ' ' ILE . 95.4 mt -57.61 129.49 42.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' A' ' 19' ' ' TYR . 16.1 mt -110.41 -39.71 4.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -146.46 150.25 35.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.826 HD12 HD11 ' A' ' 84' ' ' LEU . 55.0 mt -147.41 139.38 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 79' ' ' ILE . 18.6 t-20 34.3 49.76 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 61.04 53.8 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -159.5 110.69 2.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 44.3 mt -67.52 131.18 33.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.178 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.826 HD11 HD12 ' A' ' 79' ' ' ILE . 14.2 mt -97.85 -21.32 16.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -50.89 101.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 124.22 -29.91 4.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.3 mtt180 -90.68 167.62 12.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.788 0.327 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.5 t -86.71 147.64 25.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -46.18 -36.41 5.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.934 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 66.5 mt-30 -52.53 -40.19 62.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.917 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.528 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 50.7 m-20 -67.54 -49.6 62.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.873 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -42.52 -62.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.115 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.6 t -47.01 -35.26 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.528 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -64.07 -44.75 91.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.5 mt -58.59 -43.81 88.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 90.6 mt -61.56 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.146 179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.9 ttmt -53.8 -43.82 69.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 49.4 p -76.41 -26.59 55.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -68.37 149.26 98.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.567 0.699 . . . . 0.0 111.108 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.6 Cg_endo -69.79 171.96 13.54 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.362 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' PRO . 63.4 m -38.14 -65.66 0.32 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.4 ttmt -76.06 122.4 24.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 30.4 t -132.28 143.87 38.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.152 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.559 ' HE2' HG21 ' A' ' 28' ' ' ILE . 45.8 tttm -94.92 126.22 40.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.543 HD23 HG12 ' A' ' 79' ' ' ILE . 8.8 mt -115.15 123.87 50.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.676 HG11 HG21 ' A' ' 15' ' ' ILE . 90.8 t -116.25 99.82 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.517 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 10.8 p90 -124.48 174.62 7.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.462 ' CD1' ' HB2' ' A' ' 22' ' ' LEU . 5.8 tt -116.46 150.84 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 ttt-85 -110.25 103.09 11.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -130.15 135.66 48.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.405 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.7 pt-20 -72.93 -15.83 61.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.83 -26.12 24.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.459 ' HB1' ' O ' ' A' ' 73' ' ' GLY . . . -49.59 -49.25 47.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.129 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.5 m -49.41 -27.44 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -88.6 -36.87 16.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -68.25 -57.61 5.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.919 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.519 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 21.7 ptt? -51.22 138.94 19.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -48.56 -41.19 29.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.084 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.5 p 58.08 45.01 18.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -178.67 84.09 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 0.24 5.91 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.689 2.26 . . . . 0.0 112.38 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 81.1 p -102.36 129.68 48.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.83 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 38.9 t -109.67 104.87 13.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.532 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.8 p -129.95 159.03 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.921 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -112.46 168.37 9.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.828 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -116.53 107.79 1.68 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -88.02 84.52 6.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.952 0.406 . . . . 0.0 110.844 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.0 t -93.13 96.66 10.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.853 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 38.71 84.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.527 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -101.98 27.84 6.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.04 6.37 8.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.112 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -110.6 12.91 22.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.4 p -79.16 143.44 35.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -40.73 -55.66 2.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -52.56 -39.7 61.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -73.92 -31.78 63.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.546 ' CG2' HG11 ' A' ' 106' ' ' VAL . 85.3 mt -71.46 -51.85 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.135 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.776 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 7.5 ptm180 -63.98 -29.82 70.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 -83.4 -29.94 27.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.1 ttm-85 -68.7 -46.16 69.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.872 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.565 ' CG ' HD13 ' A' ' 77' ' ' LEU . 80.4 m-85 -99.41 12.53 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.776 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -65.55 -7.76 16.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.077 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.39 -19.36 25.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.5 mt -61.84 148.8 86.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.62 0.724 . . . . 0.0 110.912 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -49.75 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.673 2.249 . . . . 0.0 112.329 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.582 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -59.21 -177.7 1.07 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.495 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -103.98 121.84 43.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.897 0.379 . . . . 0.0 110.872 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.595 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.2 tp -70.7 124.49 24.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -127.71 106.99 9.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.534 HG12 HG22 ' A' ' 106' ' ' VAL . 67.3 mt -97.88 109.92 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.161 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.887 HD11 ' HG3' ' A' ' 70' ' ' MET . 16.6 pt -121.27 150.7 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.098 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -107.34 116.51 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.93 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.794 HD21 HD12 ' A' ' 29' ' ' ILE . 40.5 mt -115.2 127.01 55.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.95 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' LYS . 8.2 tt0 -85.65 111.64 20.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' GLU . 15.1 mtmt -37.14 130.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' LYS . 10.9 t70 -91.88 -179.97 5.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.85 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' ASP . 14.4 tmtt? -34.39 -44.76 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.8 m120 -97.78 -35.3 10.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.58 -167.28 18.0 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.523 HD23 ' HG3' ' A' ' 63' ' ' PRO . 28.4 mt -70.86 70.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.837 0.351 . . . . 0.0 110.915 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -56.77 95.06 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.48 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 64' ' ' ALA . 11.4 mt -134.95 140.59 45.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.329 . . . . 0.0 110.963 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.6 m -92.34 114.48 27.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.5 mt -102.98 149.53 24.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -151.17 115.76 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.137 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.47 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -50.4 149.0 6.63 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.43 ' O ' ' C ' ' A' ' 46' ' ' LYS . 31.1 t-20 -47.18 135.09 10.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.899 0.38 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.811 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 27.8 mttp -34.66 -38.93 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -94.58 105.23 17.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.8 ttt85 -48.77 -38.53 22.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 t -50.31 -32.01 15.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.836 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.8 mtp180 -87.55 152.99 21.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.846 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 3.1 tpt -118.85 95.55 4.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -154.98 147.13 23.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.868 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.463 HD13 ' HB2' ' A' ' 92' ' ' ALA . 19.4 mt -112.98 140.7 31.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.135 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 80.2 m-85 -132.7 -178.41 4.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.0 t -121.6 93.35 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.157 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.463 HG21 ' HD3' ' A' ' 121' ' ' PRO . 5.5 m -87.44 13.91 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.68 151.08 8.94 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.49 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.406 HG13 ' CD1' ' A' ' 72' ' ' ILE . 91.5 mt -134.35 98.84 2.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 4.0 t-20 -39.27 122.72 1.33 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.711 . . . . 0.0 110.885 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -10.21 28.04 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.692 2.261 . . . . 0.0 112.357 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -103.59 -8.22 20.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.39 179.11 46.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.523 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.6 Cg_endo -69.7 -50.41 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.503 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -44.59 -43.33 8.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.068 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -65.32 -41.51 93.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.112 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.67 -34.39 76.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.089 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.403 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 6.9 t0 -68.51 -45.76 71.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.66 -20.87 12.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.883 ' HB2' HD13 ' A' ' 29' ' ' ILE . 17.7 mmm180 -60.54 -43.06 97.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.887 ' HG3' HD11 ' A' ' 29' ' ' ILE . 8.9 mtp -79.3 139.99 37.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -135.29 173.47 11.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.508 ' N ' HD13 ' A' ' 72' ' ' ILE . 3.7 mm -76.33 115.99 18.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 124.15 -7.55 8.64 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.486 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.544 ' OD2' ' CE1' ' A' ' 107' ' ' PHE . 86.7 m-20 -73.84 129.99 39.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.776 0.322 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 14.7 tt0 -97.45 110.35 22.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.44 HD13 HD11 ' A' ' 79' ' ' ILE . 50.7 mt -64.14 122.21 16.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.565 HD13 ' CG ' ' A' ' 19' ' ' TYR . 14.5 mt -100.83 -46.44 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.867 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -137.73 152.04 48.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.605 HG12 HD23 ' A' ' 105' ' ' LEU . 52.4 mt -154.24 109.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 62.85 48.38 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 61.65 43.52 9.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -144.47 120.14 10.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.493 ' O ' HD23 ' A' ' 84' ' ' LEU . 61.9 mt -70.81 144.13 13.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 83' ' ' ILE . 12.1 mt -130.87 3.97 4.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.595 ' O ' ' CD2' ' A' ' 85' ' ' TYR . 44.2 t80 -76.76 7.82 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -148.62 18.6 1.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.511 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 28.5 mtp85 -128.08 174.54 9.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.799 0.333 . . . . 0.0 110.88 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 13.5 t -89.08 157.84 18.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.822 -179.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -62.91 -23.95 67.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.874 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -66.0 -23.85 66.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -84.71 -41.59 16.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.463 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -46.99 -54.41 10.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.132 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 22.9 t -56.42 -39.72 73.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.839 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -63.86 -39.08 93.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.061 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 69.5 mt -63.73 -46.04 95.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.453 HD13 HD12 ' A' ' 38' ' ' LEU . 97.6 mt -60.33 -47.15 93.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.4 ttmm -52.74 -46.73 67.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.9 p -73.07 -21.7 60.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.169 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -72.27 152.41 92.3 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 172.11 13.25 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.701 2.267 . . . . 0.0 112.336 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 9.6 m -42.33 -63.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.879 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 16.0 ttmt -77.77 112.27 14.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.1 t -116.64 150.27 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 24.6 tttt -107.96 111.66 23.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.605 HD23 HG12 ' A' ' 79' ' ' ILE . 6.7 mt -102.51 129.84 49.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.93 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.546 HG11 ' CG2' ' A' ' 15' ' ' ILE . 97.8 t -120.24 100.54 9.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.573 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 36.4 p90 -122.87 177.78 5.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.582 HD11 ' C ' ' A' ' 24' ' ' GLY . 7.8 tt -129.51 125.45 61.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -85.7 123.06 30.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -151.47 133.4 15.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.35 -10.86 59.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -95.32 -16.52 22.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.839 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.73 -35.35 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.082 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 17.5 m -59.92 -24.35 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.109 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -87.05 -35.87 18.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 64.5 mm-40 -73.26 -42.88 62.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.527 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -59.12 128.42 37.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.811 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -80.28 100.3 8.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.5 t -60.13 118.34 6.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 130.7 86.72 0.41 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . 0.463 ' HD3' HG21 ' A' ' 56' ' ' VAL . 53.8 Cg_endo -69.78 87.26 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.671 2.247 . . . . 0.0 112.368 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 121' ' ' PRO . 37.1 p -35.52 117.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 70.6 m -89.74 129.44 36.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.512 179.964 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 p -88.58 103.69 16.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.863 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.9 m -40.73 155.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.94 -108.47 0.58 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.471 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -71.93 -47.89 49.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.855 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.9 p -68.77 171.57 7.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.04 87.9 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.75 43.67 1.13 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.87 -11.58 33.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -101.82 11.25 38.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 14' ' ' LYS . 14.6 p -67.92 133.26 48.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.545 ' HA ' HD12 ' A' ' 15' ' ' ILE . 0.4 OUTLIER -36.15 -57.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.9 179.926 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -49.24 -39.96 32.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' THR . 10.4 mmtm -75.64 -32.38 60.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.631 HG21 HG11 ' A' ' 106' ' ' VAL . 79.7 mt -65.05 -48.28 84.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.145 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.859 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.5 ptp180 -63.38 -48.6 77.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -63.6 -33.06 74.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.931 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 ttm-85 -67.74 -45.0 76.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -100.64 17.63 21.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.97 -19.96 65.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -71.31 -29.69 65.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.437 ' HB3' HD13 ' A' ' 108' ' ' ILE . 28.6 mt -53.6 150.14 13.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.586 0.708 . . . . 0.0 110.897 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.43 ' HG2' ' ND2' ' A' ' 110' ' ' ASN . 54.1 Cg_endo -69.74 -49.3 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.713 2.276 . . . . 0.0 112.367 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.491 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -64.93 -173.31 3.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.448 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -109.35 127.56 54.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.883 0.373 . . . . 0.0 110.929 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.859 HD22 ' HA ' ' A' ' 16' ' ' ARG . 4.7 tp -68.32 133.08 48.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.931 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 -134.32 108.05 7.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.821 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.467 HG21 ' HE3' ' A' ' 104' ' ' LYS . 72.1 mt -100.52 109.96 26.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.852 HD11 ' HG3' ' A' ' 70' ' ' MET . 21.6 pt -122.34 146.38 27.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.133 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -100.93 114.08 27.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.842 HD21 HD12 ' A' ' 29' ' ' ILE . 49.8 mt -115.41 133.95 55.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -95.74 116.76 29.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mtmp? -40.88 127.99 2.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.9 t70 -87.01 177.17 7.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.3 OUTLIER -34.63 -34.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.47 ' N ' ' O ' ' A' ' 34' ' ' ASP . 10.3 m-80 -108.81 -23.66 11.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 107.92 -177.25 21.01 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.543 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.762 HD13 HD11 ' A' ' 105' ' ' LEU . 21.8 mt -59.71 109.93 1.03 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 0.0 110.933 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -100.26 105.48 2.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.504 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.416 HD21 ' CB ' ' A' ' 64' ' ' ALA . 7.0 mt -143.57 133.61 24.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.5 m -83.98 105.86 15.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.5 mt -92.32 152.57 19.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -155.53 123.44 5.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.91 153.41 6.91 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 46' ' ' LYS . 27.9 t-20 -53.84 153.88 4.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.933 0.397 . . . . 0.0 110.875 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' N ' ' OD1' ' A' ' 45' ' ' ASN . 4.7 mtpm? -37.43 -34.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -105.91 147.65 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.18 -5.54 59.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 3.6 m -85.86 -25.95 25.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.8 mtt-85 -95.63 94.08 7.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.817 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.8 tpt -64.93 97.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.8 m -148.33 151.89 36.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.858 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 38.6 mt -115.83 134.95 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.482 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 66.6 m-85 -130.12 173.53 10.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 88.5 t -118.57 94.81 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.073 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.743 HG12 ' SD ' ' A' ' 117' ' ' MET . 17.5 m -93.86 20.71 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.143 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 175.45 150.73 8.12 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.482 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.4 mt -133.23 102.86 5.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.859 0.361 . . . . 0.0 111.137 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.571 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 16.2 t-20 -41.68 118.61 1.91 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.647 0.736 . . . . 0.0 110.862 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -11.19 30.33 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.651 2.234 . . . . 0.0 112.395 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 52.5 mt-10 -104.37 -8.69 19.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.26 -179.43 46.89 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.492 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.432 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.8 Cg_endo -69.77 -49.25 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 2.26 . . . . 0.0 112.362 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -43.99 -43.04 6.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.571 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -64.09 -42.47 96.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.099 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -63.72 -37.92 89.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.405 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 8.9 t70 -65.32 -49.36 69.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 87.51 -23.86 11.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.456 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.76 ' HB2' HD13 ' A' ' 29' ' ' ILE . 16.5 mmm180 -57.08 -45.68 83.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.852 ' HG3' HD11 ' A' ' 29' ' ' ILE . 9.5 mtp -71.87 146.0 48.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.414 ' HE ' ' CZ ' ' A' ' 109' ' ' ARG . 20.0 mtm180 -143.49 166.24 25.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.417 ' N ' HD13 ' A' ' 72' ' ' ILE . 5.5 mm -68.94 118.29 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.09 -21.39 5.82 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.591 ' CG ' ' CE1' ' A' ' 107' ' ' PHE . 85.2 m-20 -54.73 153.93 5.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.759 0.314 . . . . 0.0 110.921 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -125.96 98.1 5.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.835 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.801 HD13 HD11 ' A' ' 79' ' ' ILE . 89.3 mt -51.35 123.63 10.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 17.6 mt -105.06 -43.81 4.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -143.97 152.33 40.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.801 HD11 HD13 ' A' ' 76' ' ' LEU . 81.5 mt -150.58 124.6 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 51.93 47.07 25.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.3 m120 60.95 53.66 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -156.29 107.66 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 70.2 mt -68.49 133.05 32.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.104 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.546 HD11 HD12 ' A' ' 79' ' ' ILE . 11.9 mt -104.03 -21.05 13.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.941 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -44.89 94.81 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 118.46 11.46 7.99 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.488 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -124.82 173.6 8.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.832 0.349 . . . . 0.0 110.819 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 76.8 p -86.94 153.5 21.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -59.09 -39.48 82.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.841 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -53.63 -34.04 57.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.499 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 84.4 m-20 -69.28 -42.78 75.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.03 -63.81 0.96 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.099 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 52.1 p -44.91 -40.0 5.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -56.69 -50.52 71.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.072 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.485 HD12 ' CD2' ' A' ' 84' ' ' LEU . 75.1 mt -56.19 -39.86 61.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 88.3 mt -65.22 -46.2 91.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.137 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.1 ttmt -52.05 -46.39 65.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.92 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.4 p -73.71 -28.33 61.66 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -66.82 151.35 96.9 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.54 0.686 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.7 Cg_endo -69.8 171.31 14.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.649 2.233 . . . . 0.0 112.359 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 100' ' ' PRO . 39.6 m -36.68 -64.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 ttmm -77.0 119.02 20.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 32.2 t -127.46 129.23 70.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.165 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.467 ' HE3' HG21 ' A' ' 28' ' ' ILE . 21.5 tttp -80.62 124.94 29.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.762 HD11 HD13 ' A' ' 38' ' ' LEU . 9.9 mt -116.45 115.11 25.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.631 HG11 HG21 ' A' ' 15' ' ' ILE . 76.3 t -108.96 103.15 15.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.102 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.591 ' CE1' ' CG ' ' A' ' 74' ' ' ASP . 42.8 p90 -125.67 179.93 4.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.491 HD11 ' C ' ' A' ' 24' ' ' GLY . 7.8 tt -127.96 120.85 54.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.414 ' CZ ' ' HE ' ' A' ' 71' ' ' ARG . 7.6 tpp85 -80.69 94.65 6.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.433 ' HB3' ' HB2' ' A' ' 113' ' ' ALA . 61.4 t-20 -115.27 122.53 46.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.466 ' O ' HG22 ' A' ' 114' ' ' VAL . 9.7 tp10 -64.51 -15.32 60.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -94.06 -12.08 29.3 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.433 ' HB2' ' HB3' ' A' ' 110' ' ' ASN . . . -72.5 -27.64 62.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 111' ' ' GLU . 19.7 m -53.26 -34.37 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 20.1 m-80 -90.7 -45.55 8.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -46.8 -29.14 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.743 ' SD ' HG12 ' A' ' 56' ' ' VAL . 17.9 ptt? -87.42 122.6 31.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 117' ' ' MET . . . -34.04 -36.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.723 ' HA ' HG11 ' A' ' 56' ' ' VAL . 8.0 t 64.97 32.63 10.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -156.01 87.81 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -29.2 24.05 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.657 2.238 . . . . 0.0 112.381 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.7 t -70.2 169.22 14.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -113.16 -47.6 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.467 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 m -69.56 85.09 0.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.855 0.359 . . . . 0.0 110.9 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.7 t -142.86 149.59 38.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.0 134.08 3.01 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 m -92.01 114.15 26.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.889 0.375 . . . . 0.0 110.818 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.0 t -121.43 153.73 37.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.21 66.29 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.511 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -83.84 38.53 0.65 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 110.888 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -91.66 -8.29 47.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 90.6 m-85 -105.14 16.6 25.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.85 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 12' ' ' ASP . 20.6 p -79.53 137.56 37.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.464 ' OD1' HD12 ' A' ' 28' ' ' ILE . 10.0 t70 -36.41 -61.83 0.49 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 12' ' ' ASP . 7.6 pt20 -37.67 -45.4 0.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.962 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 mmtm -75.98 -34.91 59.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.644 HG21 HG11 ' A' ' 106' ' ' VAL . 86.5 mt -62.74 -50.46 79.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.109 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.744 ' HA ' HD22 ' A' ' 26' ' ' LEU . 2.4 ptm85 -61.45 -39.17 89.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -74.09 -32.41 63.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 37.6 ttm-85 -69.48 -42.94 74.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.626 ' CE1' HD22 ' A' ' 77' ' ' LEU . 76.7 m-85 -103.21 16.91 25.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.941 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.706 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -69.0 -25.58 64.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.09 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.64 -30.69 71.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 19.4 mt -53.79 151.17 12.13 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.543 0.687 . . . . 0.0 110.936 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -49.95 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.702 2.268 . . . . 0.0 112.38 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.18 -166.05 0.32 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -120.12 125.23 47.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.744 HD22 ' HA ' ' A' ' 16' ' ' ARG . 5.4 tp -63.59 130.15 43.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.959 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -132.51 109.99 10.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.874 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.464 HD12 ' OD1' ' A' ' 12' ' ' ASP . 36.2 mt -99.57 115.79 41.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.936 HD11 ' HG3' ' A' ' 70' ' ' MET . 42.7 pt -128.53 139.27 52.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.15 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -97.79 120.1 37.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.53 HD21 HD12 ' A' ' 29' ' ' ILE . 22.7 mt -121.28 124.2 44.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.924 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -81.2 114.27 19.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HD3' HG22 ' A' ' 96' ' ' ILE . 13.8 mtmt -39.15 123.1 1.32 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 35' ' ' LYS . 13.6 t70 -80.43 175.1 10.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.877 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 0.1 OUTLIER -34.19 -39.22 0.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -100.8 -33.4 10.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.63 -178.13 16.49 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 63' ' ' PRO . 22.6 mt -61.05 94.7 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -83.82 103.99 2.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.472 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 58' ' ' ILE . 39.8 mt -140.77 133.67 29.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.341 . . . . 0.0 110.935 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -86.92 110.81 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.827 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.7 mt -97.19 150.07 21.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.548 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -152.02 113.43 4.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.743 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -41.76 163.5 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.408 ' O ' ' C ' ' A' ' 46' ' ' LYS . 21.2 t-20 -64.49 146.57 54.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.919 0.39 . . . . 0.0 110.849 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.715 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 4.9 mtpm? -37.79 -45.87 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -94.85 106.59 18.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 49' ' ' SER . 9.1 ptt85 -42.26 -51.32 4.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 48' ' ' ARG . 5.8 m -37.55 -37.64 0.22 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.858 -179.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -82.34 148.36 28.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.6 tpt -121.39 104.57 9.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.66 144.3 19.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 -179.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.549 HD13 ' HB2' ' A' ' 92' ' ' ALA . 20.4 mt -100.21 130.19 49.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.539 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 60.9 m-85 -125.95 167.39 15.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.859 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.706 HG21 ' HE2' ' A' ' 70' ' ' MET . 66.7 t -115.57 89.13 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.15 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.586 HG12 ' SD ' ' A' ' 117' ' ' MET . 6.3 m -91.41 22.74 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.42 151.34 8.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.506 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 40' ' ' LEU . 98.6 mt -134.79 97.84 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.788 0.328 . . . . 0.0 111.114 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.41 ' CG ' ' HG2' ' A' ' 61' ' ' GLU . 9.1 t-20 -42.84 118.89 2.43 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.666 0.746 . . . . 0.0 110.863 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.4 Cg_endo -69.8 0.08 6.19 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.41 ' HG2' ' CG ' ' A' ' 59' ' ' ASN . 10.4 pt-20 -102.51 -25.37 13.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.81 -175.77 49.95 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.626 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.4 Cg_endo -69.81 -49.03 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.674 2.249 . . . . 0.0 112.369 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.29 -36.69 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.487 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -82.26 -34.71 28.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.134 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -67.93 -53.11 28.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -60.12 -36.1 76.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.878 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.83 48.74 59.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.527 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -122.29 -43.93 2.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.331 . . . . 0.0 110.851 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.936 ' HG3' HD11 ' A' ' 29' ' ' ILE . 6.0 mtp -72.45 153.53 41.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -138.38 174.31 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.919 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.511 HG22 ' CE ' ' A' ' 117' ' ' MET . 7.8 mm -81.42 119.76 31.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.53 -18.96 6.34 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.484 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.437 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 70.4 m-20 -60.85 136.53 58.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.798 0.332 . . . . 0.0 110.839 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -108.83 100.04 9.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.476 HD13 HD11 ' A' ' 79' ' ' ILE . 80.2 mt -50.2 136.11 20.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.626 HD22 ' CE1' ' A' ' 19' ' ' TYR . 17.2 mt -118.85 -39.2 2.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.423 ' C ' HG13 ' A' ' 79' ' ' ILE . 47.3 mt-10 -148.09 151.62 35.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.557 HD12 HD11 ' A' ' 84' ' ' LEU . 90.2 mt -152.0 131.32 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.144 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 48.67 43.26 20.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 8.0 m120 62.64 54.44 2.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -154.9 119.6 4.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 27.6 mt -74.47 127.38 36.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.124 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.557 HD11 HD12 ' A' ' 79' ' ' ILE . 7.9 mt -101.66 -20.42 15.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 47.7 t80 -47.69 96.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 115.35 30.92 2.12 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.51 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 52.1 mtt-85 -145.36 166.11 26.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.802 0.334 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 41.0 p -77.8 146.15 35.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.2 p80 -49.17 -46.06 44.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -45.86 -41.77 11.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 13.5 m-20 -59.72 -48.96 79.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.549 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -48.08 -62.16 1.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -49.4 -41.0 38.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.71 -50.25 73.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.495 HD12 ' CD2' ' A' ' 84' ' ' LEU . 81.1 mt -54.26 -39.56 43.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.507 HD13 HD12 ' A' ' 38' ' ' LEU . 83.4 mt -65.17 -47.29 88.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -51.25 -42.55 61.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 66.3 p -75.28 -25.1 57.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -69.43 154.36 94.95 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.598 0.713 . . . . 0.0 111.067 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 174.94 8.82 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.667 2.245 . . . . 0.0 112.324 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.4 m -44.06 -57.0 3.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.807 -179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 ttmt -81.03 116.12 20.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 13.9 t -126.24 142.08 43.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.177 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 30.7 tttt -99.59 117.52 34.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.459 ' CD1' HD12 ' A' ' 31' ' ' LEU . 5.8 mt -106.78 120.02 40.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.644 HG11 HG21 ' A' ' 15' ' ' ILE . 93.2 t -110.15 102.64 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.094 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.484 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 31.9 p90 -128.4 171.97 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 8.2 tt -112.32 155.79 13.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 21.0 ttm180 -112.07 94.19 4.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.454 ' OD1' ' N ' ' A' ' 112' ' ' ASP . 31.1 t-20 -124.28 114.99 20.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.931 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.967 ' O ' HG22 ' A' ' 114' ' ' VAL . 13.2 tt0 -51.13 -42.65 60.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.454 ' N ' ' OD1' ' A' ' 110' ' ' ASN . 1.1 m-20 -60.88 -28.91 69.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 110' ' ' ASN . . . -54.69 -42.59 71.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.967 HG22 ' O ' ' A' ' 111' ' ' GLU . 28.5 m -44.13 -33.57 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -91.6 -51.86 5.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 51.9 mm-40 -45.16 -38.18 5.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.586 ' SD ' HG12 ' A' ' 56' ' ' VAL . 22.4 ptt? -68.82 124.46 23.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.743 ' HB3' ' O ' ' A' ' 44' ' ' GLY . . . -67.32 97.21 0.54 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.058 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 8.7 t -63.27 133.14 53.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 128.83 90.09 0.62 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -0.58 7.09 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.624 2.216 . . . . 0.0 112.354 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 4.2 m -62.89 -70.3 0.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.41 ' OG ' ' N ' ' A' ' 124' ' ' GLY . 29.1 p -94.63 -61.87 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.41 ' N ' ' OG ' ' A' ' 123' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.479 -0.249 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.8 p 40.37 42.72 1.32 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 0.0 110.917 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -108.03 128.38 54.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.73 90.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.4 p -76.91 100.62 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.871 0.367 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -60.13 119.74 8.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.23 -24.8 1.75 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.43 39.16 0.71 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 110.864 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.3 -1.94 58.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -110.57 18.27 19.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.837 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 12' ' ' ASP . 43.4 p -88.15 141.13 28.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.149 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER -34.82 -65.42 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.823 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 14' ' ' LYS . 9.3 pt20 -38.63 -42.54 0.79 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 13' ' ' GLN . 5.0 mmpt? -76.26 -39.64 53.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.585 HG21 HG11 ' A' ' 106' ' ' VAL . 89.5 mt -58.58 -49.29 82.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.134 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.71 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 18.9 ptt180 -63.74 -39.87 95.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.9 mt-30 -73.23 -27.43 61.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -74.58 -39.69 62.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.459 ' CG ' HD13 ' A' ' 77' ' ' LEU . 81.5 m-85 -107.48 14.33 25.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -65.1 -19.09 65.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -72.89 -27.59 61.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.415 ' HB3' HD13 ' A' ' 108' ' ' ILE . 24.5 mt -54.99 152.05 14.72 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -49.69 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.684 2.256 . . . . 0.0 112.334 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.464 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.76 -175.44 6.93 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.513 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.65 126.11 54.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.876 0.37 . . . . 0.0 110.885 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.554 HD21 HG22 ' A' ' 15' ' ' ILE . 6.9 tp -59.0 134.16 56.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.949 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -131.8 96.4 3.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.844 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.534 HG12 HG22 ' A' ' 106' ' ' VAL . 31.8 mt -91.43 105.74 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.885 HD11 ' HG3' ' A' ' 70' ' ' MET . 33.0 pt -123.9 136.99 58.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -95.71 124.27 39.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.68 HD12 ' CD1' ' A' ' 105' ' ' LEU . 14.8 mt -122.36 125.83 46.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 tt0 -82.34 112.35 19.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.474 ' HD3' HG22 ' A' ' 96' ' ' ILE . 5.5 mtmp? -39.92 131.55 1.9 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' ' 36' ' ' ASN . 18.3 t0 -92.0 -178.36 4.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ASP . 22.0 ttmt -35.56 -32.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 34' ' ' ASP . 91.1 m-20 -114.3 -21.98 10.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.876 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 109.74 -166.68 12.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.549 HD13 HD11 ' A' ' 105' ' ' LEU . 10.3 mt -70.8 98.84 1.62 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.878 0.37 . . . . 0.0 110.932 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -84.67 99.26 2.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.501 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.2 mt -135.69 136.93 41.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.807 0.337 . . . . 0.0 110.934 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 48.9 m -83.6 100.88 11.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 14.5 mt -93.19 143.93 25.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -147.66 123.44 10.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -54.19 155.62 7.36 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -53.02 138.94 29.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.907 0.384 . . . . 0.0 110.854 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.625 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 13.7 mtpp -46.79 -35.08 5.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.937 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -94.73 112.29 24.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 50' ' ' ARG . 25.7 ttt180 -48.49 -61.67 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 48' ' ' ARG . 74.6 m -36.65 -33.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 48' ' ' ARG . 8.1 mtt85 -94.81 140.12 30.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.3 mmt -115.25 130.63 56.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.2 m -175.64 151.49 1.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.882 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.486 HD13 ' HB2' ' A' ' 92' ' ' ALA . 14.5 mt -115.63 123.36 70.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.571 ' CZ ' ' OE2' ' A' ' 75' ' ' GLU . 85.5 m-85 -119.01 178.72 4.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.691 HG21 ' HE2' ' A' ' 70' ' ' MET . 90.1 t -119.78 95.84 3.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.111 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.839 HG12 ' SD ' ' A' ' 117' ' ' MET . 16.8 m -93.7 20.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.92 150.8 7.81 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.9 mt -134.97 97.77 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 0.0 111.125 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -43.92 122.06 3.81 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.599 0.714 . . . . 0.0 110.917 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.478 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 54.0 Cg_endo -69.76 -13.97 35.42 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.671 2.247 . . . . 0.0 112.334 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -91.74 -22.72 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.25 -178.72 49.79 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.467 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' ALA . 53.5 Cg_endo -69.76 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.353 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -38.25 -44.39 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.478 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -69.04 -36.49 77.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.087 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.88 -51.88 59.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.147 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -59.31 -32.96 70.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.85 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.86 46.71 93.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.478 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -122.27 -50.89 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.814 0.34 . . . . 0.0 110.853 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.885 ' HG3' HD11 ' A' ' 29' ' ' ILE . 5.7 mtp -64.78 146.23 55.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.446 ' NH1' ' O ' ' A' ' 70' ' ' MET . 11.6 mmt-85 -130.5 177.15 7.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 14.8 mm -82.31 119.84 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 123.26 -20.04 7.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.499 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.549 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 71.7 m-20 -51.6 144.73 10.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.571 ' OE2' ' CZ ' ' A' ' 54' ' ' PHE . 42.7 tt0 -117.03 105.25 12.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.765 HD13 HD11 ' A' ' 79' ' ' ILE . 68.6 mt -58.29 128.43 37.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.459 HD13 ' CG ' ' A' ' 19' ' ' TYR . 26.5 mt -111.37 -45.17 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -140.48 153.23 46.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.765 HD11 HD13 ' A' ' 76' ' ' LEU . 72.4 mt -154.0 131.92 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 48.95 33.91 5.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 71.88 53.44 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -154.7 124.86 6.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.7 mt -78.15 127.39 38.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.499 HD11 HD12 ' A' ' 79' ' ' ILE . 11.0 mt -99.43 -29.91 12.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.416 ' C ' ' O ' ' A' ' 84' ' ' LEU . 58.8 t80 -37.28 109.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 102.11 26.01 7.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -141.29 168.96 18.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.771 0.32 . . . . 0.0 110.889 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 53.8 p -88.62 153.04 21.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -54.44 -39.24 67.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -50.31 -26.88 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -77.46 -41.06 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.486 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -54.84 -66.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.1 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 96.4 p -40.38 -42.48 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.49 -50.97 71.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 76.4 mt -55.15 -47.31 77.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.474 HG22 ' HD3' ' A' ' 33' ' ' LYS . 85.9 mt -60.49 -44.25 96.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -52.46 -43.65 65.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 81.1 p -77.05 -24.79 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.493 ' HB1' HG22 ' A' ' 103' ' ' VAL . . . -69.6 149.44 96.94 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.599 0.714 . . . . 0.0 111.105 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.6 Cg_endo -69.78 170.92 15.46 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.72 2.28 . . . . 0.0 112.318 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 100' ' ' PRO . 67.1 m -38.23 -55.47 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.1 ttmt -82.21 117.1 22.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.493 HG22 ' HB1' ' A' ' 99' ' ' ALA . 89.6 t -127.89 140.45 49.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 68.8 tttt -95.42 125.05 39.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.68 ' CD1' HD12 ' A' ' 31' ' ' LEU . 4.9 mt -114.61 117.73 31.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.585 HG11 HG21 ' A' ' 15' ' ' ILE . 95.3 t -111.01 99.61 9.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.549 ' CD1' ' HB3' ' A' ' 74' ' ' ASP . 23.0 p90 -125.04 -176.56 3.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.496 HG22 ' HB3' ' A' ' 75' ' ' GLU . 5.9 tt -122.74 145.92 28.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.084 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -100.78 91.89 4.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -125.93 127.15 45.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.928 ' O ' HG22 ' A' ' 114' ' ' VAL . 17.1 pt-20 -69.33 -33.46 73.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.85 -28.5 68.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.75 71.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.082 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.928 HG22 ' O ' ' A' ' 111' ' ' GLU . 16.5 m -52.18 -22.38 3.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 -92.62 -19.08 22.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.41 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 56.3 mt-30 -88.86 -38.58 14.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.839 ' SD ' HG12 ' A' ' 56' ' ' VAL . 25.9 ptt? -66.19 137.74 57.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.625 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -83.17 89.18 6.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.096 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.6 t -45.08 145.96 0.94 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.46 84.82 1.45 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.453 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -39.04 7.0 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.306 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 74.5 m -86.98 114.03 23.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.7 t -154.09 156.63 37.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.522 -179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.2 m 52.31 44.99 29.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.835 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.2 p -94.31 152.92 18.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.62 -165.8 39.13 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -66.09 142.3 57.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.86 0.362 . . . . 0.0 110.883 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -68.47 -53.75 21.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.908 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.71 73.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.513 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.22 43.62 1.12 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.79 0.328 . . . . 0.0 110.878 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.34 -10.84 36.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 m-85 -98.27 11.47 37.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' LYS . 12.3 p -77.99 135.26 37.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.088 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 11' ' ' THR . 1.9 m-20 -35.98 -38.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.877 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -61.59 -48.81 79.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.431 ' N ' ' O ' ' A' ' 11' ' ' THR . 24.8 mmmt -72.22 -24.38 61.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.952 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.557 HG21 HG11 ' A' ' 106' ' ' VAL . 94.1 mt -74.62 -46.56 41.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.717 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 6.9 ptm180 -66.76 -37.65 85.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.435 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 18.5 mt-30 -74.14 -33.13 63.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.926 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.441 ' NH1' ' HB2' ' A' ' 18' ' ' ARG . 14.2 ttm105 -70.09 -39.42 75.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.601 ' CE1' HD22 ' A' ' 77' ' ' LEU . 73.6 m-85 -105.34 13.33 30.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -66.87 -27.99 67.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.085 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -64.08 -29.39 70.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.481 ' HB3' HD13 ' A' ' 108' ' ' ILE . 24.6 mt -52.46 152.21 6.66 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -49.62 0.54 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.708 2.272 . . . . 0.0 112.362 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.666 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -67.1 -171.1 4.73 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.468 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.407 ' C ' HG13 ' A' ' 108' ' ' ILE . 6.1 tp10 -112.89 135.12 54.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.927 0.394 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.663 HD22 ' HA ' ' A' ' 16' ' ' ARG . 8.6 tp -68.83 132.06 46.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -131.67 94.85 3.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 63.2 mt -88.57 108.02 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.967 HD11 ' HG3' ' A' ' 70' ' ' MET . 15.4 pt -125.49 136.26 61.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -97.3 113.82 25.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.521 HD13 ' HA ' ' A' ' 64' ' ' ALA . 28.3 mt -109.67 121.98 46.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.39 119.99 19.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 mtmp? -55.84 120.59 7.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 36' ' ' ASN . 21.8 t0 -79.43 176.43 9.7 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' ASP . 14.0 pttm -36.64 -32.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 34' ' ' ASP . 30.0 t30 -98.9 -41.31 7.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.482 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 143.01 -128.15 3.34 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.686 HD12 HD13 ' A' ' 96' ' ' ILE . 74.6 mt -101.75 -47.98 4.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.909 0.385 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.59 91.19 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.503 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.492 HD21 ' HB1' ' A' ' 64' ' ' ALA . 32.2 mt -144.16 136.64 26.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.832 0.349 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.471 ' HB2' ' N ' ' A' ' 57' ' ' GLY . 70.7 m -84.02 128.59 34.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 16.9 mt -120.4 147.73 44.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.08 118.0 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -52.04 150.29 8.37 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' LYS . 28.2 t-20 -46.39 144.93 1.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' ASN . 5.4 mtpm? -34.65 -46.02 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -98.98 125.07 44.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.5 ttp85 -50.82 -50.11 57.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 85.1 p -40.5 -35.29 0.43 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 32.5 mtt85 -85.34 140.75 30.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 37.4 tpp -116.73 101.36 8.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.5 t -149.19 135.7 19.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.886 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.451 HD13 ' HB2' ' A' ' 92' ' ' ALA . 37.8 mt -99.53 107.28 20.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.511 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 56.7 m-85 -105.39 168.52 9.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.724 HG21 ' HE1' ' A' ' 70' ' ' MET . 82.9 t -112.97 98.0 6.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.098 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.523 HG11 ' HA ' ' A' ' 119' ' ' SER . 6.3 m -95.19 6.96 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.16 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' ' HB2' ' A' ' 41' ' ' SER . . . -172.0 152.79 18.1 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.497 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -134.82 105.73 6.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -44.59 113.03 1.58 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.65 0.738 . . . . 0.0 110.859 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.472 ' HA ' ' CB ' ' A' ' 65' ' ' ALA . 53.4 Cg_endo -69.75 -3.56 12.25 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -103.59 -19.5 14.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.92 -174.15 46.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.482 ' CD ' ' O ' ' A' ' 37' ' ' GLY . 53.6 Cg_endo -69.71 -47.97 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.521 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -39.0 -39.03 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.058 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 60' ' ' PRO . . . -80.41 -44.37 19.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -56.25 -56.75 17.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.093 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -49.14 -35.23 16.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 66.3 39.3 94.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -118.51 -51.8 2.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.781 0.324 . . . . 0.0 110.888 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.967 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.3 mtp -66.14 135.82 55.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HG3' ' NH2' ' A' ' 109' ' ' ARG . 14.8 mmt180 -124.2 176.87 6.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.9 mm -82.78 120.48 34.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.089 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 127.93 -16.52 6.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.544 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.547 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 71.2 m-20 -58.74 160.75 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.75 0.309 . . . . 0.0 110.899 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.449 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 27.2 tt0 -131.54 98.51 4.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.868 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.462 HD13 HD11 ' A' ' 79' ' ' ILE . 96.5 mt -51.94 135.03 31.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.601 HD22 ' CE1' ' A' ' 19' ' ' TYR . 10.4 mt -119.47 -43.9 2.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.962 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -142.79 148.88 37.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.929 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.564 HG12 HD23 ' A' ' 105' ' ' LEU . 71.2 mt -147.65 135.56 14.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.123 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.436 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 14.0 t-20 44.94 35.35 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 45.9 t30 71.93 41.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 5.1 mm100 -142.73 108.36 5.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.4 mt -65.48 129.08 29.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.129 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.477 ' CD2' HD12 ' A' ' 95' ' ' ILE . 8.8 mt -99.36 -21.3 16.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.963 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -46.34 98.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 113.34 28.54 3.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.524 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 50.0 mtt-85 -144.31 163.17 34.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.914 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 72.9 p -78.31 147.92 34.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -51.09 -42.62 60.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.846 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -49.51 -41.99 42.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.551 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 63.8 m-20 -60.57 -52.18 66.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.451 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -41.02 -63.82 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.1 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.6 t -44.11 -39.54 4.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -57.37 -55.35 35.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.135 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.477 HD12 ' CD2' ' A' ' 84' ' ' LEU . 72.8 mt -50.48 -43.08 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.139 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.686 HD13 HD12 ' A' ' 38' ' ' LEU . 98.3 mt -62.15 -47.31 93.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.3 ttmt -50.86 -42.76 59.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.2 p -77.45 -27.59 52.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.145 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -63.4 149.5 91.61 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.561 0.696 . . . . 0.0 111.119 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.436 ' HD2' ' ND2' ' A' ' 80' ' ' ASN . 54.1 Cg_endo -69.71 169.59 18.48 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.35 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 100' ' ' PRO . 1.2 t -35.78 -63.5 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.47 123.0 25.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 15.3 t -130.44 142.86 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.7 ttpt -100.18 120.88 40.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.564 HD23 HG12 ' A' ' 79' ' ' ILE . 5.2 mt -109.74 121.81 46.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.557 HG11 HG21 ' A' ' 15' ' ' ILE . 76.8 t -113.37 102.49 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.576 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 17.9 p90 -131.65 175.15 9.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.666 HD11 ' C ' ' A' ' 24' ' ' GLY . 10.8 tt -119.2 142.05 36.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.138 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.418 ' NH2' ' HG3' ' A' ' 71' ' ' ARG . 2.2 tpp85 -100.59 109.61 21.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . 0.402 ' O ' ' N ' ' A' ' 113' ' ' ALA . 30.5 t-20 -136.29 106.97 6.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.949 ' O ' HG22 ' A' ' 114' ' ' VAL . 5.1 tp10 -44.35 -42.09 6.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -62.09 -33.16 73.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 110' ' ' ASN . . . -50.37 -43.21 54.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.119 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.949 HG22 ' O ' ' A' ' 111' ' ' GLU . 18.8 m -47.27 -28.26 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 71.8 m-80 -87.26 -47.07 9.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -56.94 -35.47 69.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.511 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 18.9 ptt? -72.53 123.29 22.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 117' ' ' MET . . . -33.95 -37.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.523 ' HA ' HG11 ' A' ' 56' ' ' VAL . 32.3 p 53.45 42.2 32.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -175.38 85.49 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.443 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 1.99 3.91 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.676 2.251 . . . . 0.0 112.353 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 123' ' ' SER . 99.0 p -67.16 155.15 39.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 122' ' ' SER . 67.0 p 35.25 37.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 -179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.3 p -62.75 -22.58 66.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.365 . . . . 0.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 t -115.04 89.73 3.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.862 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.4 -142.64 3.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.472 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -120.56 103.13 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.5 m -102.47 136.51 42.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.9 71.82 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.504 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.67 25.02 4.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.31 0.12 15.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -115.32 27.65 9.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' LYS . 21.5 p -80.84 144.14 32.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.135 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -38.48 -41.59 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -61.07 -41.87 97.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.954 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 11' ' ' THR . 14.8 mmtp -78.59 -27.38 45.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.483 HG22 HD21 ' A' ' 26' ' ' LEU . 84.2 mt -71.87 -45.3 65.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.159 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.809 ' HA ' HD22 ' A' ' 26' ' ' LEU . 36.2 ptt180 -66.72 -39.23 87.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -74.06 -31.19 62.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 25.9 ttm180 -69.84 -41.18 75.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.449 ' CG ' HD13 ' A' ' 77' ' ' LEU . 76.6 m-85 -103.12 11.57 36.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.14 -21.91 66.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.108 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.06 -31.86 69.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.886 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.6 mt -52.4 151.77 7.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.637 0.732 . . . . 0.0 110.958 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -50.71 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -63.49 -171.5 1.87 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.459 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -112.33 133.77 54.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.809 HD22 ' HA ' ' A' ' 16' ' ' ARG . 8.7 tp -71.24 133.77 46.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -138.21 108.58 6.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 31.9 mt -99.94 114.81 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.933 HD11 ' HG3' ' A' ' 70' ' ' MET . 49.7 pt -128.03 137.72 56.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.131 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -98.12 108.81 21.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.617 HD21 HD12 ' A' ' 29' ' ' ILE . 22.8 mt -104.83 126.0 51.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -79.61 110.99 15.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.726 ' HZ2' HG21 ' A' ' 103' ' ' VAL . 17.1 mtmm -46.54 120.51 2.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 36' ' ' ASN . 27.4 t0 -79.3 179.75 7.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.861 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.5 pttt -44.23 -22.7 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 34' ' ' ASP . 7.3 p30 -108.63 -39.79 5.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.57 -172.93 15.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.465 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.428 HD13 HD11 ' A' ' 105' ' ' LEU . 21.3 mt -66.13 74.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.866 0.365 . . . . 0.0 110.944 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -60.34 93.79 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.601 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.2 mt -137.98 139.59 39.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 m -92.8 111.2 22.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 34.0 mt -95.71 150.82 19.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.98 128.67 10.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.14 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -65.66 136.84 36.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.436 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 46' ' ' LYS . 26.3 t-20 -35.68 141.58 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.392 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.535 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 27.5 mttm -34.69 -46.54 0.29 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -89.47 109.57 20.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 2.3 tpt180 -47.87 -47.23 31.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.9 m -46.46 -28.89 1.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.869 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 34.1 mtt180 -89.4 94.64 9.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.9 tpt -70.88 94.34 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -149.6 149.05 30.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.2 mt -105.68 143.8 16.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.136 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 49.7 m-85 -140.08 173.58 11.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.538 HG21 ' CE ' ' A' ' 70' ' ' MET . 97.3 t -114.74 100.67 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.149 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 15.2 m -100.72 19.14 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.147 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.08 151.49 7.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.483 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.465 HG23 ' HB3' ' A' ' 64' ' ' ALA . 96.0 mt -134.23 98.96 2.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.819 0.342 . . . . 0.0 111.169 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 58' ' ' ILE . 5.2 t-20 -34.84 120.8 0.57 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -12.66 33.39 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.25 . . . . 0.0 112.372 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 59.9 mt-10 -104.7 -6.53 20.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -88.01 -178.33 47.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -48.17 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.731 2.287 . . . . 0.0 112.275 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.601 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -43.72 -41.31 4.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.33 63.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.43 -50.93 57.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -64.72 -29.37 70.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 62.72 40.11 98.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.501 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -112.92 -57.52 2.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.933 ' HG3' HD11 ' A' ' 29' ' ' ILE . 15.5 mtp -61.31 137.4 58.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.0 mmt-85 -120.53 175.51 5.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.3 mm -83.48 122.59 37.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 120.95 -17.0 9.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.462 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -55.04 142.49 30.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.836 0.351 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.545 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 43.2 tt0 -110.75 94.1 4.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.411 HD13 HD11 ' A' ' 79' ' ' ILE . 93.4 mt -47.09 136.48 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.449 HD13 ' CG ' ' A' ' 19' ' ' TYR . 25.7 mt -117.73 -42.38 2.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.426 ' C ' HG13 ' A' ' 79' ' ' ILE . 11.6 mt-10 -146.82 157.99 43.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.45 ' CD1' HD11 ' A' ' 84' ' ' LEU . 74.5 mt -153.6 110.79 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.122 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 63.33 44.54 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 65.2 t30 66.48 48.19 1.56 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' A' ' 95' ' ' ILE . 36.9 mt-30 -149.82 110.2 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 61.1 mt -72.15 130.56 35.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.58 ' CD2' HD12 ' A' ' 95' ' ' ILE . 10.3 mt -101.68 -22.36 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -39.97 107.79 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 100.78 29.88 6.35 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.6 mtt-85 -139.68 169.05 18.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.841 0.353 . . . . 0.0 110.891 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 86.6 p -87.25 150.47 23.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -59.23 -18.08 33.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -71.91 -25.62 61.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -80.64 -41.45 23.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.93 -48.33 64.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.078 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 83.3 p -56.53 -41.04 76.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -59.02 -46.92 86.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.073 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.58 HD12 ' CD2' ' A' ' 84' ' ' LEU . 66.2 mt -56.52 -44.98 81.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.184 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.448 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 49.0 mt -62.82 -44.54 99.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.121 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.7 ttmm -55.53 -35.45 65.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 71.5 p -87.13 -19.31 28.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.158 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.484 ' HB3' ' HZ1' ' A' ' 33' ' ' LYS . . . -73.79 151.29 88.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.577 0.704 . . . . 0.0 111.073 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 173.21 11.32 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.652 2.234 . . . . 0.0 112.311 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 72.9 m -45.39 -63.52 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.5 ttmt -76.44 112.63 13.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.952 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.726 HG21 ' HZ2' ' A' ' 33' ' ' LYS . 13.4 t -122.62 147.69 26.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.4 ttpt -107.79 108.47 19.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.938 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.481 ' CD1' HD12 ' A' ' 31' ' ' LEU . 6.0 mt -92.95 139.16 30.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.448 HG11 HG21 ' A' ' 15' ' ' ILE . 95.3 t -125.95 102.97 10.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.571 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 39.2 p90 -128.82 179.63 5.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.861 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.525 HD11 ' C ' ' A' ' 24' ' ' GLY . 10.2 tt -128.16 124.45 62.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -78.77 140.57 38.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -168.29 132.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.6 ' O ' HG22 ' A' ' 114' ' ' VAL . 10.1 pt-20 -75.61 -21.47 57.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -81.4 -23.97 37.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -56.29 -50.76 70.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.081 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.6 HG22 ' O ' ' A' ' 111' ' ' GLU . 33.0 m -40.55 -35.73 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 55.3 m-80 -74.28 -40.21 62.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 113' ' ' ALA . 75.4 mm-40 -70.18 -51.74 28.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.459 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -53.77 140.38 30.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.535 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -79.45 -175.6 4.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.054 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 77.8 p -138.96 112.0 7.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 122.67 87.44 0.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.484 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -23.21 30.7 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.662 2.242 . . . . 0.0 112.278 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 37.2 m -61.34 -47.99 83.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.828 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.0 m -128.26 126.81 41.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.881 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -89.7 131.72 35.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.6 m -125.75 110.02 13.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.896 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.05 -48.01 6.27 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -129.08 112.34 13.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.6 t -95.04 -51.29 4.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.834 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 131.11 74.26 0.12 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.466 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.752 ' O ' HG23 ' A' ' 11' ' ' THR . 0.5 OUTLIER -102.47 22.98 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.844 0.354 . . . . 0.0 110.866 -179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.13 2.06 9.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -107.7 19.89 19.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.752 HG23 ' O ' ' A' ' 8' ' ' ASP . 22.3 p -89.91 139.11 30.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 11' ' ' THR . 8.1 t0 -37.18 -39.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -56.94 -47.06 81.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.412 ' N ' ' O ' ' A' ' 11' ' ' THR . 5.3 mmpt? -74.74 -29.95 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.883 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.658 HG21 HG11 ' A' ' 106' ' ' VAL . 97.8 mt -67.84 -53.97 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.817 ' HA ' HD22 ' A' ' 26' ' ' LEU . 16.0 ptt180 -56.96 -40.49 76.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' N ' ' HG3' ' A' ' 16' ' ' ARG . 25.7 mt-30 -75.95 -32.24 59.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.6 ttm180 -66.09 -46.54 77.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.618 ' CE1' HD22 ' A' ' 77' ' ' LEU . 83.5 m-85 -99.94 13.81 32.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -64.07 -19.85 65.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -75.58 -16.16 60.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.825 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' A' ' 108' ' ' ILE . 40.6 mt -66.42 152.52 94.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.57 0.7 . . . . 0.0 110.958 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -50.82 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.608 ' O ' HD11 ' A' ' 108' ' ' ILE . . . -64.63 -175.6 4.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.0 tp10 -108.98 126.03 52.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.867 0.365 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.817 HD22 ' HA ' ' A' ' 16' ' ' ARG . 7.4 tp -62.42 127.24 30.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -130.14 106.85 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.438 HG12 HG22 ' A' ' 106' ' ' VAL . 52.0 mt -99.57 115.92 41.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.154 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.892 HD11 ' HG3' ' A' ' 70' ' ' MET . 24.2 pt -130.15 139.72 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.16 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -100.06 122.94 43.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 22.3 mt -121.36 133.79 55.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -89.13 112.91 24.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.3 mtmt -37.47 117.11 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t0 -75.19 -175.17 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -45.44 -24.34 0.3 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.89 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -116.76 -20.04 9.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 102.32 -178.71 26.72 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.464 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.552 HD23 ' HG3' ' A' ' 63' ' ' PRO . 17.2 mt -58.98 109.76 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 110.918 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.406 ' C ' ' HG ' ' A' ' 40' ' ' LEU . . . -100.83 110.53 3.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.521 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' C ' ' A' ' 39' ' ' GLY . 6.4 mt -147.2 137.35 23.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.776 0.322 . . . . 0.0 110.937 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 30.7 m -90.04 103.0 15.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 19.7 mt -90.81 149.19 22.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -149.24 130.68 14.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -57.92 168.77 4.88 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.501 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 46' ' ' LYS . 17.8 t-20 -76.12 139.91 41.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' C ' ' O ' ' A' ' 45' ' ' ASN . 61.8 mttt -35.03 -48.86 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -87.68 112.45 22.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 56.1 ttt180 -49.4 -50.19 41.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.6 m -46.98 -33.7 4.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -89.24 123.93 33.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.437 ' HE3' ' O ' ' A' ' 86' ' ' GLY . 4.4 mmm -99.4 129.18 45.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.7 m -174.96 142.61 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.836 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.6 mt -109.1 115.36 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.52 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 73.3 m-85 -111.51 170.08 8.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.402 HG21 ' HE2' ' A' ' 70' ' ' MET . 97.7 t -112.99 95.99 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.601 HG11 ' HA ' ' A' ' 119' ' ' SER . 5.6 m -96.49 23.74 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 170.41 149.27 6.32 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.457 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 91.8 mt -131.27 98.97 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.798 0.332 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.425 ' CG ' ' HG2' ' A' ' 61' ' ' GLU . 11.2 t-20 -39.29 118.32 1.18 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.609 0.719 . . . . 0.0 110.892 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -4.43 14.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.315 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.425 ' HG2' ' CG ' ' A' ' 59' ' ' ASN . 4.4 pt-20 -101.38 -23.27 14.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.61 -178.58 51.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.468 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.552 ' HG3' HD23 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.73 -48.67 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.329 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.31 -41.38 0.9 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.53 -37.65 68.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' PRO . . . -64.27 -48.67 74.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -61.74 -39.94 93.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 72.27 31.91 63.21 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.472 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? -106.6 -52.69 2.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.844 0.354 . . . . 0.0 110.872 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.892 ' HG3' HD11 ' A' ' 29' ' ' ILE . 7.3 mtp -62.96 137.55 58.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.875 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.417 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 5.7 mmm180 -124.13 168.74 12.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.2 mm -76.34 121.56 28.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.131 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 125.35 -21.44 6.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.599 ' CG ' ' CD1' ' A' ' 107' ' ' PHE . 77.4 m-20 -54.12 146.76 14.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.755 0.312 . . . . 0.0 110.881 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -116.86 98.08 6.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.432 HD13 HD11 ' A' ' 79' ' ' ILE . 91.9 mt -50.35 127.25 16.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.618 HD22 ' CE1' ' A' ' 19' ' ' TYR . 19.8 mt -108.82 -45.97 3.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -144.38 155.98 44.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.733 HD12 HD11 ' A' ' 84' ' ' LEU . 66.1 mt -151.05 139.02 14.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.162 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.426 ' C ' ' O ' ' A' ' 79' ' ' ILE . 8.1 t-20 35.96 48.45 0.51 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 62.26 54.77 2.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -158.63 114.73 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.938 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 47.5 mt -73.03 129.12 36.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.733 HD11 HD12 ' A' ' 79' ' ' ILE . 17.9 mt -99.87 -21.91 15.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -44.45 106.75 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.437 ' O ' ' HE3' ' A' ' 51' ' ' MET . . . 114.39 -38.17 3.26 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 74.2 mtt180 -75.23 176.99 6.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.338 . . . . 0.0 110.84 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 60.6 p -87.06 162.27 17.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -67.48 -34.91 78.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -59.38 -40.86 87.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 76.3 m-20 -61.29 -42.32 98.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.95 -53.67 46.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -54.05 -34.81 61.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.12 91.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.062 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 80.0 mt -62.2 -40.71 88.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.98 -44.72 97.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -53.56 -45.3 69.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 54.3 p -76.04 -19.69 58.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.182 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -71.69 152.31 93.49 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.619 0.724 . . . . 0.0 111.071 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 173.71 10.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.714 2.276 . . . . 0.0 112.328 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.3 m -42.53 -64.51 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.809 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.3 ttmt -77.06 110.58 11.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 59.2 t -116.0 141.9 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 15.1 tttp -97.82 125.33 42.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.8 mt -117.4 128.19 54.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.658 HG11 HG21 ' A' ' 15' ' ' ILE . 96.1 t -120.18 101.59 11.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.599 ' CD1' ' CG ' ' A' ' 74' ' ' ASP . 50.9 p90 -125.46 177.69 6.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.608 HD11 ' O ' ' A' ' 24' ' ' GLY . 7.6 tt -125.43 123.66 65.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.8 ttm180 -79.67 110.09 14.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 62.8 t-20 -134.21 106.75 7.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.941 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.802 ' O ' HG22 ' A' ' 114' ' ' VAL . 11.9 tt0 -53.52 -22.91 9.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -78.26 -31.81 49.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.861 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -53.93 -37.52 63.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.132 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.802 HG22 ' O ' ' A' ' 111' ' ' GLU . 24.4 m -49.23 -24.62 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 45.1 m-80 -88.85 -46.88 8.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -54.7 -65.13 0.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.54 ' SD ' HG12 ' A' ' 56' ' ' VAL . 13.1 ptt? -42.56 128.41 3.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -43.77 -46.67 7.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.601 ' HA ' HG11 ' A' ' 56' ' ' VAL . 5.2 t 71.98 38.85 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.817 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -163.72 83.46 0.11 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.529 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 151.12 69.02 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.621 2.214 . . . . 0.0 112.335 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 40.5 p -93.39 156.78 16.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 96.8 p -104.26 131.63 51.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.872 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.509 -179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -85.77 162.73 18.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 110.861 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -152.11 125.64 8.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.818 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.16 87.18 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.491 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.7 p -144.0 131.48 21.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.4 m -163.87 156.35 17.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.29 59.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.515 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -84.56 32.54 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 0.0 110.863 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.65 -3.34 57.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -110.96 19.62 18.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.477 ' O ' ' N ' ' A' ' 14' ' ' LYS . 24.5 p -82.17 134.54 35.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.108 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER -36.96 -48.7 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -55.57 -41.28 73.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.477 ' N ' ' O ' ' A' ' 11' ' ' THR . 28.2 mmtm -78.37 -28.11 47.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.581 HG21 HG11 ' A' ' 106' ' ' VAL . 93.9 mt -70.02 -48.67 61.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.144 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.543 ' HA ' HD22 ' A' ' 26' ' ' LEU . 32.9 ptt180 -62.56 -42.33 99.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -70.17 -31.46 68.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.963 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 18' ' ' ARG . 15.5 ttm105 -69.35 -40.86 77.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.549 ' CD2' HD13 ' A' ' 77' ' ' LEU . 69.7 m-85 -104.1 14.55 30.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -66.3 -18.18 65.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.09 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -77.95 -28.1 49.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.854 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.549 ' HB3' HD13 ' A' ' 108' ' ' ILE . 24.3 mt -51.43 152.77 4.23 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.572 0.701 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -49.16 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.661 2.241 . . . . 0.0 112.337 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.699 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.52 -167.6 2.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -119.28 121.88 40.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.895 0.378 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.543 HD22 ' HA ' ' A' ' 16' ' ' ARG . 3.7 tp -60.86 129.15 40.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 23.1 m-70 -131.1 99.68 4.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.848 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.488 HG12 HG22 ' A' ' 106' ' ' VAL . 70.5 mt -88.96 109.5 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.153 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.905 HD11 ' HG3' ' A' ' 70' ' ' MET . 16.0 pt -128.34 136.42 60.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -89.91 113.78 25.46 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.565 HD13 ' HA ' ' A' ' 64' ' ' ALA . 18.8 mt -107.67 118.92 38.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.937 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.83 108.79 12.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.598 ' HZ2' HG21 ' A' ' 103' ' ' VAL . 10.7 mtmm -44.85 122.34 3.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' ASN . 23.3 t0 -79.85 177.41 8.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -40.77 -24.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' ASP . 12.7 p30 -107.96 -39.53 5.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.12 -174.41 15.59 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.47 HD13 HD21 ' A' ' 105' ' ' LEU . 14.1 mt -64.84 89.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.9 0.381 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -79.14 97.09 1.51 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.517 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.419 HD21 ' CB ' ' A' ' 64' ' ' ALA . 8.5 mt -135.77 137.86 42.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.84 0.353 . . . . 0.0 110.879 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 58.7 m -84.83 105.37 15.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.417 ' CB ' ' HB2' ' A' ' 89' ' ' HIS . 36.9 mt -91.03 144.77 25.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.922 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.578 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -149.41 119.1 7.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.076 179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 45' ' ' ASN . . . -58.88 135.41 52.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.45 ' O ' ' C ' ' A' ' 46' ' ' LYS . 26.0 t-20 -35.7 137.71 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.905 0.384 . . . . 0.0 110.866 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.823 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 41.5 mttm -34.16 -43.26 0.15 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -90.69 109.73 20.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 ptt180 -55.93 -23.23 30.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 90.0 p -65.47 -22.22 66.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 49.6 mtt180 -105.18 93.32 4.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.878 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 2.6 tpt -65.94 99.39 0.49 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.85 150.25 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.819 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.472 HD13 ' HA ' ' A' ' 89' ' ' HIS . 62.1 mt -116.17 130.52 70.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.487 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 77.2 m-85 -128.86 -177.43 4.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 79.1 t -121.24 102.12 11.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.444 ' HA ' HG23 ' A' ' 72' ' ' ILE . 5.5 m -102.18 20.63 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.17 149.35 7.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.5 mt -135.05 98.36 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.893 0.377 . . . . 0.0 111.097 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.517 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 23.6 t30 -45.13 125.17 5.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -9.96 27.36 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.314 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -99.61 -17.22 17.93 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -80.51 179.2 53.58 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.481 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.414 ' CG ' HD23 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.75 -45.82 1.45 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.673 2.248 . . . . 0.0 112.349 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.565 ' HA ' HD13 ' A' ' 31' ' ' LEU . . . -46.77 -40.85 14.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.108 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.517 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -65.69 -42.85 90.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.053 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.22 -43.7 98.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -62.31 -45.95 90.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.74 -20.01 10.31 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.469 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -64.15 -47.07 81.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.782 0.325 . . . . 0.0 110.862 -179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.905 ' HG3' HD11 ' A' ' 29' ' ' ILE . 4.5 mtp -64.29 137.36 57.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.867 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -133.86 170.81 15.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.444 HG23 ' HA ' ' A' ' 56' ' ' VAL . 6.7 mm -75.43 119.8 23.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.427 ' O ' ' CB ' ' A' ' 113' ' ' ALA . . . 126.92 -12.51 6.85 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.488 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.562 ' CG ' ' CE1' ' A' ' 107' ' ' PHE . 91.3 m-20 -60.62 146.32 45.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.732 0.301 . . . . 0.0 110.873 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 54.3 tt0 -116.64 96.78 5.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.854 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.826 HD13 HD11 ' A' ' 79' ' ' ILE . 70.1 mt -52.74 109.55 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.549 HD13 ' CD2' ' A' ' 19' ' ' TYR . 20.4 mt -91.22 -42.59 10.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -144.88 158.11 43.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.826 HD11 HD13 ' A' ' 76' ' ' LEU . 57.1 mt -153.57 130.57 2.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.455 ' ND2' ' HD2' ' A' ' 100' ' ' PRO . 19.9 t-20 45.47 42.33 7.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 4.7 m120 67.36 54.4 0.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -158.8 114.38 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 69.0 mt -73.62 129.09 36.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.151 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.477 HD11 HD12 ' A' ' 79' ' ' ILE . 10.8 mt -97.8 -22.82 16.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -40.72 95.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 84' ' ' LEU . . . 114.2 29.19 2.84 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 68.8 mtt180 -141.76 165.94 26.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.914 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.6 p -86.59 145.49 26.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.813 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.472 ' HA ' HD13 ' A' ' 53' ' ' ILE . 15.2 p80 -49.37 -30.81 8.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -59.0 -35.39 73.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -72.21 -44.01 63.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.42 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -49.1 -53.79 19.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.071 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.6 p -51.24 -40.75 59.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -57.98 -49.5 76.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . . . . . . . . . 69.7 mt -57.62 -36.91 56.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 77.3 mt -68.11 -46.75 80.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 6.7 ttmm -49.83 -44.55 49.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 57.8 p -72.97 -31.27 64.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.132 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.456 ' O ' ' NZ ' ' A' ' 33' ' ' LYS . . . -64.61 146.9 98.13 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.563 0.697 . . . . 0.0 111.113 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.455 ' HD2' ' ND2' ' A' ' 80' ' ' ASN . 53.7 Cg_endo -69.75 -171.52 0.48 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.665 2.243 . . . . 0.0 112.306 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 83.2 p -50.75 -61.1 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 14.4 tttm -79.41 120.7 24.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.598 HG21 ' HZ2' ' A' ' 33' ' ' LYS . 21.7 t -129.57 131.1 67.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.424 ' HE3' HG21 ' A' ' 28' ' ' ILE . 42.7 tttp -81.97 116.76 21.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.47 HD21 HD13 ' A' ' 38' ' ' LEU . 9.8 mt -109.48 104.41 13.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.902 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.581 HG11 HG21 ' A' ' 15' ' ' ILE . 88.5 t -98.68 102.65 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.094 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.562 ' CE1' ' CG ' ' A' ' 74' ' ' ASP . 47.5 p90 -128.2 178.47 6.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.699 HD11 ' C ' ' A' ' 24' ' ' GLY . 5.8 tt -128.26 125.47 64.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -81.36 94.91 6.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 42.2 t-20 -116.58 116.17 27.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.693 ' O ' HG22 ' A' ' 114' ' ' VAL . 1.6 tp10 -55.16 -33.05 62.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.11 -25.14 64.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' A' ' 73' ' ' GLY . . . -48.32 -50.57 29.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.12 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.693 HG22 ' O ' ' A' ' 111' ' ' GLU . 19.6 m -49.69 -28.19 3.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.097 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 82.4 m-20 -85.34 -22.92 28.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.956 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 67.8 mt-30 -87.92 -59.26 2.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.487 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 18.0 ptt? -52.93 144.1 15.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.823 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -89.97 97.59 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.08 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.9 t -55.85 138.61 47.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 90.6 88.19 1.36 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.482 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 148.96 66.22 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.633 2.222 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 47.2 p -109.02 115.07 29.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 50.4 p -146.06 161.38 40.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -157.83 155.54 29.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.889 0.376 . . . . 0.0 110.865 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 m -84.75 45.53 1.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.874 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.14 122.64 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.6 m -143.91 168.88 18.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.82 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.0 p -120.19 -59.65 1.76 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.95 70.23 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.45 ' O ' HG23 ' A' ' 11' ' ' THR . 0.3 OUTLIER -95.87 29.11 2.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.831 0.348 . . . . 0.0 110.885 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.75 -4.45 49.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -102.02 24.57 9.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.45 HG23 ' O ' ' A' ' 8' ' ' ASP . 59.7 p -90.08 144.38 25.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.182 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -39.82 -59.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -47.14 -37.18 9.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -77.22 -38.31 51.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.594 HG22 HD21 ' A' ' 26' ' ' LEU . 95.5 mt -63.48 -49.78 81.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.136 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.723 ' HA ' HD22 ' A' ' 26' ' ' LEU . 12.2 ptt85 -64.93 -38.66 91.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -76.61 -28.99 56.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 22.5 ttm180 -72.52 -39.83 67.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.819 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.648 ' CE1' HD22 ' A' ' 77' ' ' LEU . 77.7 m-85 -104.62 13.92 30.75 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.58 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -63.96 -26.48 68.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.095 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -67.03 -29.44 69.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.573 ' HB3' HD13 ' A' ' 108' ' ' ILE . 20.4 mt -52.95 152.35 7.38 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.59 0.71 . . . . 0.0 110.925 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -49.16 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.756 ' O ' HD11 ' A' ' 108' ' ' ILE . . . -70.22 177.72 31.86 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.47 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -101.83 129.73 48.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 0.0 110.88 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.723 HD22 ' HA ' ' A' ' 16' ' ' ARG . 9.6 tp -61.11 128.59 37.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -127.78 98.43 5.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.537 HG12 HG22 ' A' ' 106' ' ' VAL . 80.6 mt -94.93 110.78 24.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.826 HD11 ' HG3' ' A' ' 70' ' ' MET . 29.5 pt -124.81 147.86 29.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -99.49 123.14 43.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.642 HD21 HD12 ' A' ' 29' ' ' ILE . 60.7 mt -124.42 134.37 53.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -95.26 119.43 33.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mtmt -43.75 117.12 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 37' ' ' GLY . 0.3 OUTLIER -76.54 173.97 10.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' ASP . 21.6 pttp -34.58 -36.83 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 34' ' ' ASP . 6.1 t-20 -104.27 -22.83 13.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.495 ' N ' ' OD1' ' A' ' 34' ' ' ASP . . . 105.64 174.1 23.9 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.502 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.648 HD13 HD11 ' A' ' 105' ' ' LEU . 17.1 mt -54.12 113.04 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 110.918 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -101.7 112.41 4.35 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.478 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 9.4 mt -148.38 136.36 20.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.924 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 75.7 m -87.77 104.76 16.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.551 HD22 HG22 ' A' ' 53' ' ' ILE . 28.8 mt -92.37 150.95 20.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -155.77 113.13 3.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.528 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -45.58 143.68 3.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.427 ' O ' ' C ' ' A' ' 46' ' ' LYS . 23.0 t-20 -49.4 137.74 14.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.898 0.38 . . . . 0.0 110.892 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.695 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 57.1 mttm -35.44 -52.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.68 108.54 15.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 8.6 ptt180 -47.07 -55.96 7.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.1 m -40.28 -36.62 0.55 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.829 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.3 mtt180 -90.02 96.61 10.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.538 ' HE3' ' O ' ' A' ' 86' ' ' GLY . 6.0 mmm -76.03 125.68 29.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.02 144.7 1.03 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.906 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.551 HG22 HD22 ' A' ' 42' ' ' LEU . 22.4 mt -108.92 120.13 59.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.088 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 75' ' ' GLU . 79.7 m-85 -113.96 178.68 4.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 92.2 t -119.97 95.52 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.711 HG12 ' SD ' ' A' ' 117' ' ' MET . 5.2 m -94.27 17.54 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 179.45 145.8 6.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 97.5 mt -134.82 97.06 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.854 0.359 . . . . 0.0 111.12 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.504 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 3.0 t-20 -39.05 125.4 1.26 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.672 0.748 . . . . 0.0 110.832 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -17.58 37.68 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -95.92 -14.36 23.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.87 173.39 55.1 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -36.83 9.98 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.278 . . . . 0.0 112.319 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.41 -34.0 66.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.504 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -73.22 -37.78 66.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -65.72 -36.64 84.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.064 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.416 ' OD2' ' CG ' ' A' ' 69' ' ' ARG . 6.6 t70 -66.33 -51.39 57.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.49 -20.8 38.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.621 ' HB2' HD13 ' A' ' 29' ' ' ILE . 7.7 mmt180 -62.36 -50.58 71.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.826 ' HG3' HD11 ' A' ' 29' ' ' ILE . 9.9 mtp -68.36 144.04 54.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.3 mmt180 -142.73 178.86 7.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 9.6 mm -77.61 122.0 31.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 124.61 -26.32 5.73 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.458 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.404 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 81.9 m-20 -48.55 155.09 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.729 0.299 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 66.7 tt0 -128.19 95.66 4.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 65.0 mt -51.56 113.41 0.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' A' ' 19' ' ' TYR . 12.7 mt -94.93 -45.29 7.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -141.76 156.02 45.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.858 HD12 HD11 ' A' ' 84' ' ' LEU . 89.8 mt -152.75 140.31 13.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.422 ' HB2' HG13 ' A' ' 103' ' ' VAL . 17.6 t-20 37.99 40.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 68.28 41.99 1.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 79' ' ' ILE . 5.6 mm100 -144.68 113.16 6.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 46.6 mt -70.71 126.48 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.858 HD11 HD12 ' A' ' 79' ' ' ILE . 10.6 mt -95.53 -24.37 16.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -45.63 104.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.538 ' O ' ' HE3' ' A' ' 51' ' ' MET . . . 118.76 -38.36 2.89 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.48 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 41.5 mtt-85 -77.6 176.22 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.6 m -91.27 146.64 23.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 26.2 p80 -50.17 -38.72 40.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.418 ' HG3' ' C ' ' A' ' 124' ' ' GLY . 10.0 mm100 -51.27 -42.25 60.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.9 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.52 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 4.2 m120 -65.12 -46.57 80.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -38.85 -64.3 0.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.0 p -49.8 -37.81 31.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.809 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -58.94 -43.76 91.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.044 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.42 HD12 ' CD2' ' A' ' 84' ' ' LEU . 67.7 mt -63.33 -41.45 92.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.8 mt -65.27 -46.56 90.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -52.78 -43.0 65.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 80.5 p -76.26 -26.87 56.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.417 ' HB1' ' HD2' ' A' ' 100' ' ' PRO . . . -65.96 155.79 85.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.569 0.699 . . . . 0.0 111.127 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.417 ' HD2' ' HB1' ' A' ' 99' ' ' ALA . 53.7 Cg_endo -69.84 176.26 7.07 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.69 2.26 . . . . 0.0 112.32 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 63.9 m -47.29 -58.97 3.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.3 ttmt -81.61 117.19 21.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.422 HG13 ' HB2' ' A' ' 80' ' ' ASN . 21.8 t -126.72 147.98 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.161 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.515 ' HE3' HG21 ' A' ' 28' ' ' ILE . 71.8 tttt -101.67 122.91 44.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.648 HD11 HD13 ' A' ' 38' ' ' LEU . 11.9 mt -111.79 120.59 42.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.537 HG22 HG12 ' A' ' 28' ' ' ILE . 97.7 t -111.09 99.94 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.58 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 26.0 p90 -123.89 176.86 6.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.756 HD11 ' O ' ' A' ' 24' ' ' GLY . 6.2 tt -121.52 125.68 73.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 39.3 ttt-85 -80.0 87.07 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 -116.08 114.75 24.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.93 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.78 ' O ' HG22 ' A' ' 114' ' ' VAL . 2.8 pp20? -65.08 -27.08 68.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -71.3 -28.83 64.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -52.23 -36.84 53.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.093 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.78 HG22 ' O ' ' A' ' 111' ' ' GLU . 26.7 m -43.05 -39.53 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.459 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 28.8 m-80 -83.08 -42.95 16.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -57.62 -62.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.711 ' SD ' HG12 ' A' ' 56' ' ' VAL . 26.0 ptt? -48.56 143.69 4.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -88.37 98.83 11.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.6 t -50.33 163.29 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 79.85 88.61 0.51 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 116.59 4.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.649 2.233 . . . . 0.0 112.328 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 85.9 p -81.25 151.54 28.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 59.5 m -98.05 82.42 2.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.856 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.418 ' C ' ' HG3' ' A' ' 90' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.6 m -56.4 110.17 0.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -69.47 120.69 15.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.852 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.44 135.28 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.47 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.3 t -72.11 163.74 27.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 m -93.48 -52.5 4.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.41 93.27 0.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -95.75 38.21 1.18 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.807 0.337 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -85.68 -3.66 58.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -105.15 25.8 10.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 12' ' ' ASP . 62.7 p -87.19 140.03 29.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.127 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -34.44 -61.88 0.36 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.884 179.907 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -44.35 -44.72 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 11' ' ' THR . 6.2 mmpt? -70.97 -37.57 72.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.673 HG22 HD21 ' A' ' 26' ' ' LEU . 96.4 mt -62.26 -54.11 38.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.678 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 23.7 ptt180 -59.75 -41.41 90.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.826 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -72.84 -31.26 64.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.3 ttm-85 -69.35 -40.05 77.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.829 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -108.15 14.13 25.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.957 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.678 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -64.36 -18.41 64.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -73.79 -29.39 62.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.875 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.6 mt -52.37 151.71 7.08 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.572 0.701 . . . . 0.0 110.911 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -49.3 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.698 2.266 . . . . 0.0 112.335 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.599 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.27 -177.47 7.88 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -107.93 124.76 50.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.908 0.385 . . . . 0.0 110.888 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.673 HD21 HG22 ' A' ' 15' ' ' ILE . 7.8 tp -62.29 130.1 43.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -131.11 100.84 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.616 HG21 ' HE3' ' A' ' 104' ' ' LYS . 40.2 mt -93.15 120.54 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.133 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.87 HD12 HD21 ' A' ' 31' ' ' LEU . 33.5 pt -133.57 143.02 40.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -97.88 113.1 24.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.87 HD21 HD12 ' A' ' 29' ' ' ILE . 21.5 mt -113.86 120.26 40.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.925 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -78.64 124.95 28.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -51.42 112.81 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' ' 36' ' ' ASN . 20.7 t70 -71.25 175.69 5.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 34' ' ' ASP . 24.0 tptp -34.35 -34.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 34' ' ' ASP . 8.9 t-20 -105.72 -31.01 9.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.429 ' O ' ' CD ' ' A' ' 63' ' ' PRO . . . 122.71 -157.09 17.28 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.506 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.606 HD23 ' HG3' ' A' ' 63' ' ' PRO . 25.8 mt -84.17 95.75 8.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.857 0.361 . . . . 0.0 110.939 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -80.6 106.34 2.51 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.479 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.44 ' CD2' HG12 ' A' ' 58' ' ' ILE . 28.5 mt -146.75 135.46 22.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 0.0 110.932 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 36.5 m -87.29 125.59 34.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 21.9 mt -112.53 147.64 36.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.911 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -151.75 133.83 15.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.099 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -62.92 155.73 41.74 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.522 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 46' ' ' LYS . 34.2 t-20 -63.1 142.13 58.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' C ' ' O ' ' A' ' 45' ' ' ASN . 29.7 mttp -34.23 -51.41 0.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.938 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -86.61 108.28 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.843 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.0 ttt180 -44.24 -53.34 6.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.7 m -40.09 -34.29 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -89.58 102.97 15.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 52.1 tpp -84.08 104.23 13.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -147.3 148.66 31.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 12.7 mt -110.85 121.3 63.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.155 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.527 ' CG ' ' HB3' ' A' ' 117' ' ' MET . 79.1 m-85 -117.77 173.26 6.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.563 HG21 ' CE ' ' A' ' 70' ' ' MET . 87.6 t -115.06 87.01 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.065 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.0 m -87.06 24.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.112 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 173.07 144.73 4.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.44 HG12 ' CD2' ' A' ' 40' ' ' LEU . 91.2 mt -132.41 110.38 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.359 . . . . 0.0 111.151 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.433 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 4.2 t-20 -47.8 121.77 8.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.645 0.736 . . . . 0.0 110.862 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -27.54 26.05 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.652 2.235 . . . . 0.0 112.311 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.43 ' CG ' ' OD1' ' A' ' 59' ' ' ASN . 11.9 pt-20 -91.18 -10.87 40.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.891 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -81.39 -178.7 52.59 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.606 ' HG3' HD23 ' A' ' 38' ' ' LEU . 54.0 Cg_endo -69.72 -46.3 1.29 Allowed 'Trans proline' 0 C--N 1.34 0.128 0 C-N-CA 122.708 2.272 . . . . 0.0 112.355 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -45.46 -43.11 11.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.433 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -69.83 -50.67 40.48 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.063 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -50.62 -51.29 50.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -57.99 -44.75 87.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 76.52 42.63 21.72 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.486 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.445 ' O ' ' NH2' ' A' ' 109' ' ' ARG . 3.4 mmp_? -121.49 -50.23 2.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.791 0.329 . . . . 0.0 110.901 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.804 ' HG3' HD11 ' A' ' 29' ' ' ILE . 18.5 mtp -67.13 137.46 56.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -128.13 172.88 10.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.414 HG22 ' CE ' ' A' ' 117' ' ' MET . 6.8 mm -77.16 119.16 25.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.103 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 126.79 -19.28 6.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.481 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.479 ' HB3' ' CD1' ' A' ' 107' ' ' PHE . 66.2 m-20 -58.68 136.95 57.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.811 0.339 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 54' ' ' PHE . 29.8 tt0 -108.48 95.74 5.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 80.8 mt -46.49 140.53 4.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 11.3 mt -123.76 -41.49 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.939 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -143.8 152.91 41.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.58 HG12 HD23 ' A' ' 105' ' ' LEU . 67.6 mt -153.55 121.74 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 58.91 33.11 22.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 73.54 39.76 0.55 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 4.9 mm100 -139.86 114.52 9.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.3 mt -70.83 126.81 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.525 ' CD2' HD12 ' A' ' 95' ' ' ILE . 9.8 mt -98.59 -24.86 14.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -42.93 105.16 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 106.02 24.13 7.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 72.3 mtt85 -137.73 168.22 20.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.765 0.317 . . . . 0.0 110.929 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.5 p -79.54 147.43 32.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 28.9 p80 -57.09 -33.22 67.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 21.2 mt-30 -59.92 -36.46 77.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.418 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 68.5 m-20 -65.83 -46.72 77.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -44.88 -60.21 2.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.7 t -47.73 -43.62 27.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -55.14 -49.31 72.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.525 HD12 ' CD2' ' A' ' 84' ' ' LEU . 71.2 mt -54.72 -40.95 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.085 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 58.1 mt -64.13 -47.37 90.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.6 ttmt -50.34 -44.1 54.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 43.0 p -75.68 -24.97 56.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.154 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -67.49 151.75 96.86 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.592 0.711 . . . . 0.0 111.058 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.9 Cg_endo -69.76 168.33 21.89 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 100' ' ' PRO . 8.2 m -38.05 -62.45 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -79.59 118.12 21.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.0 t -125.57 141.85 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.113 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.616 ' HE3' HG21 ' A' ' 28' ' ' ILE . 38.3 tttp -98.75 109.95 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.705 ' CD1' HD12 ' A' ' 31' ' ' LEU . 4.8 mt -97.59 138.87 34.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.944 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 67.0 t -127.76 104.23 11.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.182 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.55 ' CE2' ' HG2' ' A' ' 70' ' ' MET . 46.8 p90 -129.81 173.12 10.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.599 HD11 ' C ' ' A' ' 24' ' ' GLY . 10.2 tt -117.17 144.25 25.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.445 ' NH2' ' O ' ' A' ' 69' ' ' ARG . 26.2 ttm180 -99.84 83.13 2.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -105.35 107.94 19.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.458 ' O ' HG22 ' A' ' 114' ' ' VAL . 10.0 tp10 -59.03 -16.77 20.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -89.52 -14.2 35.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.849 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 116' ' ' GLN . . . -67.21 -46.0 75.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 111' ' ' GLU . 27.1 m -42.77 -28.17 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -83.27 -35.37 25.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 113' ' ' ALA . 68.4 mt-30 -72.88 -47.45 45.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.527 ' HB3' ' CG ' ' A' ' 54' ' ' PHE . 0.0 OUTLIER -55.63 120.14 6.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -39.33 -45.18 1.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.474 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 1.0 OUTLIER 74.44 33.56 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.854 -179.773 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -140.53 89.92 0.19 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 2.71 3.29 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.704 2.27 . . . . 0.0 112.351 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.1 p -41.37 137.03 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.0 t -46.81 113.95 0.75 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.499 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -164.51 137.47 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.884 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -80.06 153.33 28.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.8 -174.94 24.0 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.533 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.4 t -121.82 150.88 41.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.909 0.385 . . . . 0.0 110.83 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.1 p -46.56 -52.06 14.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.95 95.08 0.16 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.7 26.35 5.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.813 0.339 . . . . 0.0 110.876 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -74.93 3.97 7.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.766 ' O ' HD11 ' A' ' 15' ' ' ILE . 96.3 m-85 -116.25 17.63 15.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 12' ' ' ASP . 27.5 p -75.44 135.33 40.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.151 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.619 ' HA ' HD12 ' A' ' 15' ' ' ILE . 1.1 m-20 -34.73 -40.37 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -62.53 -51.48 67.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.93 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' THR . 15.4 mmtp -70.04 -21.02 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.766 HD11 ' O ' ' A' ' 10' ' ' PHE . 57.9 mt -77.93 -53.94 13.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.874 ' O ' ' HB2' ' A' ' 20' ' ' ALA . 11.9 ptm180 -58.78 -35.69 73.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -75.7 -35.18 60.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.9 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.476 ' HG2' ' CD2' ' A' ' 19' ' ' TYR . 2.9 ttp-105 -68.9 -43.22 75.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . 0.476 ' CD2' ' HG2' ' A' ' 18' ' ' ARG . 86.7 m-85 -103.56 16.72 25.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.874 ' HB2' ' O ' ' A' ' 16' ' ' ARG . . . -68.76 -23.16 64.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.099 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -72.1 -24.21 61.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.403 ' HB3' HD13 ' A' ' 108' ' ' ILE . 26.2 mt -55.49 151.21 21.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.642 0.734 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -50.19 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.722 2.281 . . . . 0.0 112.298 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.581 ' C ' HD11 ' A' ' 108' ' ' ILE . . . -66.03 -169.54 3.04 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.448 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.407 ' C ' HG13 ' A' ' 108' ' ' ILE . 6.1 tt0 -113.94 126.97 55.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 16' ' ' ARG . 4.2 tp -69.21 134.51 49.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -136.04 107.7 7.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.524 HG21 ' HE3' ' A' ' 104' ' ' LYS . 45.2 mt -98.76 120.55 48.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.9 HD11 ' HG3' ' A' ' 70' ' ' MET . 35.7 pt -137.96 141.37 38.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -92.37 115.24 27.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.441 HD12 ' CD1' ' A' ' 105' ' ' LEU . 25.6 mt -108.68 119.08 38.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -83.21 111.36 18.87 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -39.46 120.12 1.03 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 36' ' ' ASN . 14.2 t0 -84.69 -175.79 5.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' ASP . 7.0 ptmm? -35.59 -32.03 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 34' ' ' ASP . 39.6 m-20 -116.55 -13.82 10.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' ASP . . . 98.85 -166.53 21.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.492 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.914 HD13 HD11 ' A' ' 105' ' ' LEU . 9.9 mt -68.14 105.33 2.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -98.4 117.01 5.71 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.538 HD21 ' CB ' ' A' ' 64' ' ' ALA . 19.3 mt -150.35 136.74 18.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 69.8 m -85.59 107.35 17.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.456 HD22 ' CG2' ' A' ' 53' ' ' ILE . 25.3 mt -96.84 146.6 24.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.596 ' HB1' ' O ' ' A' ' 118' ' ' ALA . . . -149.8 114.54 5.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.458 ' O ' ' HB3' ' A' ' 118' ' ' ALA . . . -47.6 148.82 3.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -47.09 145.19 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.663 ' HA ' ' HB2' ' A' ' 118' ' ' ALA . 33.4 mttm -46.42 -49.52 17.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.92 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.63 114.62 22.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.839 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.472 ' HA ' ' CZ ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -50.71 -50.16 55.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 48' ' ' ARG . 2.0 m -36.93 -37.81 0.16 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.833 -179.751 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 40.1 mtt180 -87.87 151.53 22.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -130.63 119.16 22.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.1 t -170.22 167.03 8.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.897 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.473 HD13 ' HB2' ' A' ' 92' ' ' ALA . 47.7 mt -116.17 133.02 63.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.553 ' CD1' ' HB2' ' A' ' 75' ' ' GLU . 75.3 m-85 -129.36 168.89 15.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.481 HG23 ' O ' ' A' ' 74' ' ' ASP . 94.7 t -115.64 90.04 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.758 HG12 ' SD ' ' A' ' 117' ' ' MET . 5.1 m -88.01 20.52 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.112 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 172.66 152.42 8.62 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.512 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 89.0 mt -134.56 98.86 2.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.444 ' O ' ' HB2' ' A' ' 65' ' ' ALA . 19.2 t30 -40.11 122.51 1.63 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.613 0.72 . . . . 0.0 110.855 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -8.01 22.51 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.676 2.25 . . . . 0.0 112.341 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -102.79 -14.94 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -85.06 176.86 50.69 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.487 ' HG3' HD23 ' A' ' 38' ' ' LEU . 53.5 Cg_endo -69.81 -41.83 3.88 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.686 2.257 . . . . 0.0 112.323 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.538 ' CB ' HD21 ' A' ' 40' ' ' LEU . . . -49.4 -35.07 17.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.104 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 59' ' ' ASN . . . -78.73 -33.35 46.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.52 -36.92 79.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.142 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -66.96 -50.7 61.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.61 -22.03 35.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.488 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.39 -41.65 96.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 110.861 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.9 ' HG3' HD11 ' A' ' 29' ' ' ILE . 6.0 mtp -72.61 137.02 45.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 mmm180 -134.13 174.81 10.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.856 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.42 HG22 ' CE ' ' A' ' 117' ' ' MET . 5.7 mm -75.01 121.1 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.13 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 122.25 -17.59 8.48 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.503 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.494 ' OD2' ' CE1' ' A' ' 107' ' ' PHE . 98.9 m-20 -58.48 125.1 21.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.553 ' HB2' ' CD1' ' A' ' 54' ' ' PHE . 47.1 tt0 -101.1 101.33 12.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.912 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.623 HD13 HD11 ' A' ' 79' ' ' ILE . 97.7 mt -49.77 144.61 6.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 23.5 mt -123.7 -41.78 2.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.433 ' C ' HG13 ' A' ' 79' ' ' ILE . 64.4 mt-10 -147.14 156.38 42.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.623 HD11 HD13 ' A' ' 76' ' ' LEU . 85.8 mt -152.85 136.31 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.107 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 40.85 35.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 73.55 48.06 0.16 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -145.63 109.08 4.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.9 mt -68.1 124.81 24.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.547 ' CD2' ' CD1' ' A' ' 95' ' ' ILE . 11.2 mt -98.3 -22.23 16.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -46.73 97.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 114.51 23.3 4.81 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -137.71 179.94 6.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.319 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 32.8 t -91.94 155.29 18.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.526 ' CE1' ' HG2' ' A' ' 90' ' ' GLN . 27.9 p80 -60.71 -34.46 74.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . 0.526 ' HG2' ' CE1' ' A' ' 89' ' ' HIS . 14.0 mm100 -56.21 -32.14 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASN . . . . . 0.402 ' O ' ' HB3' ' A' ' 94' ' ' ALA . 3.1 m120 -68.23 -46.86 69.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.473 ' HB2' HD13 ' A' ' 53' ' ' ILE . . . -46.76 -69.28 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 73.7 p -39.4 -44.72 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 91' ' ' ASN . . . -57.92 -46.02 85.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.112 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ILE . . . . . 0.547 ' CD1' ' CD2' ' A' ' 84' ' ' LEU . 53.2 mt -58.1 -42.53 83.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.82 -46.51 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 19.4 ttmt -52.01 -43.77 63.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 69.2 p -72.96 -24.8 60.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.413 ' HB1' HG22 ' A' ' 103' ' ' VAL . . . -72.22 153.77 92.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 111.101 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -168.81 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.269 . . . . 0.0 112.348 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.1 p -54.52 -59.78 4.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 20.1 tttt -83.18 106.16 14.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.489 ' HB ' HD11 ' A' ' 38' ' ' LEU . 38.9 t -112.47 128.75 68.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.082 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.524 ' HE3' HG21 ' A' ' 28' ' ' ILE . 22.9 tttp -79.64 124.42 28.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.914 HD11 HD13 ' A' ' 38' ' ' LEU . 11.6 mt -117.47 117.87 30.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.0 t -112.0 106.89 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.495 ' CZ ' ' HG2' ' A' ' 70' ' ' MET . 41.6 p90 -130.7 177.89 7.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.581 HD11 ' C ' ' A' ' 24' ' ' GLY . 8.0 tt -128.75 122.15 56.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.136 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -86.38 111.27 20.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -127.07 161.34 28.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.74 ' O ' HG22 ' A' ' 114' ' ' VAL . 17.0 pt-20 -89.57 -22.39 22.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -83.67 -23.91 31.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -55.66 -32.23 63.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.74 HG22 ' O ' ' A' ' 111' ' ' GLU . 21.5 m -68.28 -25.65 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASN . . . . . 0.539 ' OD1' HG23 ' A' ' 114' ' ' VAL . 24.6 m-20 -95.34 -12.89 25.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 52.9 mt-30 -94.22 -62.29 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.758 ' SD ' HG12 ' A' ' 56' ' ' VAL . 23.1 ptt? -47.26 138.6 7.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.856 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.663 ' HB2' ' HA ' ' A' ' 46' ' ' LYS . . . -84.29 100.12 11.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.112 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.6 t -60.22 114.79 3.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 129.97 88.9 0.52 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.471 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.35 3.59 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.685 2.257 . . . . 0.0 112.331 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.7 t -113.59 102.71 10.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.863 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 t -58.41 -54.87 42.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.486 -179.999 . . . . . . . . 0 0 . 1 stop_ save_